data_2cp0_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 2cp0 _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 ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 120.815 0.341 . . . . 0.0 111.074 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.3 mt -58.71 -40.11 82.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.051 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 60.5 p -58.46 -38.6 77.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.974 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.59 -33.0 62.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.9 mt -74.71 -49.08 22.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.919 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 119.14 37.06 0.83 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.468 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.0 tp -137.58 159.63 41.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.786 0.327 . . . . 0.0 110.933 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.2 mtm180 -129.81 174.47 9.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.2 mt -76.64 152.42 35.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.72 -38.52 3.09 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.517 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -66.8 160.86 25.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.792 0.329 . . . . 0.0 110.857 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -99.45 157.74 16.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.2 m -136.12 164.57 31.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.9 tp -96.98 114.43 26.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.811 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 80.9 mt -87.07 116.42 25.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 60.79 27.45 17.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.98 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 57.44 30.91 62.35 Favored Glycine 0 C--N 1.331 0.263 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.485 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -146.57 -69.68 0.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.83 0.348 . . . . 0.0 110.861 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.2 163.96 21.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 62.9 p -133.57 137.34 45.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.893 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -145.57 169.38 27.12 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.507 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.5 m -104.51 131.79 51.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.808 0.337 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.5 tp -71.73 140.55 49.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -139.77 -47.96 0.46 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.838 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -110.79 150.47 29.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.835 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 30.4 p -158.74 121.18 3.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 144.25 -140.68 9.54 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 29.4 p -87.9 -177.2 5.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.817 0.341 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -134.83 170.45 15.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -107.0 -45.55 4.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.926 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -72.48 -26.82 61.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.989 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -126.27 -168.7 1.9 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.972 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 38.6 p -129.72 176.42 8.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 81.53 -148.59 27.93 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.528 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -115.46 127.39 55.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.831 0.348 . . . . 0.0 110.923 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 57.7 m95 -134.59 175.28 9.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 29.6 m -152.44 141.63 14.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.18 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -94.74 122.15 7.06 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.458 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.4 t -125.19 135.65 63.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.792 0.33 . . . . 0.0 111.222 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -95.72 126.76 41.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 79.5 mt -71.87 124.11 24.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.946 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -65.25 -58.1 6.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.0 164.78 9.57 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.98 72.4 1.55 Allowed 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.53 2.153 . . . . 0.0 112.278 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -154.06 169.67 22.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 149.6 -169.94 29.8 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.565 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.3 ttmm -139.59 -58.88 0.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.772 0.32 . . . . 0.0 110.936 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -101.54 158.37 16.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.942 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.06 39.57 1.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 61.6 28.33 69.58 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.465 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -144.48 119.59 10.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.776 0.322 . . . . 0.0 110.918 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.5 t -124.67 110.76 25.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.104 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 59.49 -118.78 15.48 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.509 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -100.77 26.19 25.55 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.531 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.407 HG11 ' CE1' ' A' ' 67' ' ' TYR . 30.3 t -128.57 133.01 67.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.886 0.374 . . . . 0.0 111.055 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -115.74 135.43 54.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.407 ' CE1' HG11 ' A' ' 65' ' ' VAL . 20.0 m-85 -113.36 -38.32 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 24.0 p90 -177.13 150.71 0.76 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.5 mp -98.79 99.11 8.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.108 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 30.8 p -113.54 160.32 32.14 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.17 178.4 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.636 2.224 . . . . 0.0 112.329 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.26 105.9 0.13 Allowed 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.652 2.235 . . . . 0.0 112.337 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? 59.44 85.96 0.1 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.981 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -152.08 27.31 0.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -139.73 133.97 6.37 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.51 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.3 tt -140.05 133.06 29.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.815 0.34 . . . . 0.0 110.944 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -103.4 136.73 42.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -154.63 166.02 34.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.058 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -78.48 146.9 34.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.922 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 17.9 m -58.28 -30.56 40.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.133 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.2 t -63.62 -28.99 70.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -98.09 30.68 2.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.973 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 37.9 mt -139.92 152.64 22.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.049 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.2 m -129.32 156.97 43.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.951 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -80.46 111.85 17.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.903 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.077 -179.966 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.858 0.361 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.9 mt -59.79 -31.43 69.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.3 p -68.16 -37.53 81.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.937 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.68 -33.68 74.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 29.3 mt -87.94 -34.27 18.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.14 41.69 17.24 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.509 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.8 tp -124.99 155.21 40.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.782 0.325 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.3 mtt-85 -114.05 150.12 34.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 19.3 mt -60.27 148.84 35.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.36 -36.57 4.32 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.452 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -69.46 152.01 45.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.838 0.351 . . . . 0.0 110.885 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.1 mpp_? -79.94 162.54 24.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.3 m -147.42 148.31 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.16 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.9 tp -84.81 119.27 25.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 17.2 mt -102.54 126.37 49.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.2 t0 59.26 22.68 11.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.1 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 54.03 52.93 40.06 Favored Glycine 0 CA--C 1.518 0.277 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.689 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -176.75 -47.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.78 0.324 . . . . 0.0 110.96 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -82.27 160.2 22.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 47.4 p -128.23 123.95 35.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.89 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -135.41 179.07 18.1 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.51 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.9 m -115.61 144.63 43.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.822 0.344 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.3 tp -80.03 120.52 24.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.411 ' HD3' ' CG ' ' A' ' 68' ' ' PHE . 4.6 mtp180 -118.45 -45.28 2.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.02 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -128.34 146.18 50.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 62.3 m -151.21 123.04 8.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.969 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 158.02 -134.22 3.8 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.516 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.0 p -117.66 -175.86 2.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.865 0.364 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.415 HG23 ' CZ ' ' A' ' 41' ' ' PHE . 16.9 p -119.68 178.83 4.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.948 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -113.11 -36.31 5.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.415 ' CZ ' HG23 ' A' ' 39' ' ' THR . 26.3 p90 -72.24 -30.33 64.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -134.79 173.38 11.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.078 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 83.1 p -112.4 138.77 48.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.959 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 141.7 -166.18 26.28 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.478 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -112.73 121.35 44.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.824 0.345 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 37.0 m95 -131.68 164.85 25.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.7 m -148.36 131.59 7.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.164 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -86.93 122.35 6.11 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.452 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 29.2 t -127.4 130.68 70.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.797 0.332 . . . . 0.0 111.12 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -88.31 121.05 30.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 16.4 mt -71.59 139.13 49.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.92 -67.73 0.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.97 164.07 61.75 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.836 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -66.94 80.22 0.36 Allowed 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.52 2.147 . . . . 0.0 112.289 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -144.58 161.94 37.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 127.55 -154.5 19.64 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.545 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.73 -46.88 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.804 0.335 . . . . 0.0 110.893 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 75.4 m-80 -90.58 150.87 21.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.948 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -98.75 35.78 1.79 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 84.44 28.57 32.61 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.544 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.03 158.11 43.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.794 0.33 . . . . 0.0 110.87 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.5 t -144.85 101.66 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.174 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 65.44 -102.7 0.7 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.478 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -117.99 28.82 6.8 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.505 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.5 t -135.75 116.61 18.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.765 0.317 . . . . 0.0 111.098 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -101.36 140.63 35.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.411 ' CD1' ' N ' ' A' ' 67' ' ' TYR . 4.9 m-85 -118.05 -40.79 2.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.411 ' CG ' ' HD3' ' A' ' 34' ' ' ARG . 25.8 p90 -158.12 -178.74 7.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.947 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.9 mp -131.43 118.4 39.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.055 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 31.8 p -131.03 160.54 66.39 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.946 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_exo -52.0 177.89 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.491 2.127 . . . . 0.0 112.356 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.36 107.18 0.17 Allowed 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.534 2.156 . . . . 0.0 112.353 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.6 mtmt 59.74 86.48 0.09 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.005 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -158.08 29.97 0.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -144.94 140.93 9.5 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.431 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.0 tp -148.41 129.67 14.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.811 0.339 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -101.15 116.04 31.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -132.17 177.21 7.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.188 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.73 148.55 27.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 17.0 m -60.22 -28.95 42.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.234 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.1 t -64.02 -29.23 70.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.947 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 16.5 mttm -97.84 28.84 3.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.046 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 24.6 mt -148.94 146.16 17.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.102 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -134.77 175.51 9.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.51 132.39 41.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.11 -179.912 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 6.2 mtm . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.751 0.31 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 32.9 mt -61.07 -37.66 83.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 78.9 p -61.75 -41.15 97.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.939 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.54 -39.41 52.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.051 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 31.1 mt -68.23 -55.45 12.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 109.65 34.32 2.47 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.486 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 tp -139.67 162.62 34.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.826 0.346 . . . . 0.0 110.942 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.74 164.14 13.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.821 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 16.3 mt -65.91 151.65 46.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.26 -37.5 3.43 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.537 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.33 151.28 28.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.871 0.367 . . . . 0.0 110.802 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.2 mtm-85 -86.91 153.37 21.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 13.3 m -137.45 174.44 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.047 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.0 tp -112.94 110.01 19.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 35.3 mt -83.07 128.85 34.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 60.0 26.47 15.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.015 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 55.95 31.28 58.39 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.556 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -153.94 -67.27 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.831 0.348 . . . . 0.0 110.96 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.01 159.48 9.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.945 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -119.72 133.38 55.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.848 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -145.45 157.57 27.39 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.559 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.3 m -107.8 128.93 55.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.893 0.378 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 19.4 tp -72.87 143.87 47.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.408 ' HD3' ' CG ' ' A' ' 68' ' ' PHE . 10.3 mtp180 -136.46 -48.05 0.64 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.44 ' CD1' ' N ' ' A' ' 36' ' ' CYS . 61.8 t80 -121.88 161.04 23.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.952 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.44 ' N ' ' CD1' ' A' ' 35' ' ' PHE . 29.8 p -154.42 132.71 11.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.978 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 142.44 -158.12 26.83 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.476 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.0 p -89.23 158.46 17.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.838 0.352 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 73.2 p -113.17 174.51 5.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.822 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -83.19 -49.21 9.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.95 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 17.3 p90 -62.95 -31.59 72.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -136.98 139.15 41.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.073 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 37.2 m -104.48 105.24 15.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 170.63 -146.78 10.0 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.523 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.04 114.43 25.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.866 0.365 . . . . 0.0 110.856 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 87.0 m95 -144.01 142.5 30.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 16.0 m -139.56 128.98 29.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.173 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -77.87 128.3 8.76 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.439 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 18.9 t -137.78 134.21 45.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.884 0.374 . . . . 0.0 111.149 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -93.21 116.67 29.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 19.1 mt -65.3 140.71 58.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.35 -44.17 65.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.75 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -68.07 159.76 78.18 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.811 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.88 61.4 2.34 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.599 2.199 . . . . 0.0 112.349 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -142.55 148.88 38.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.811 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 171.76 -168.88 42.01 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.637 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.9 mttp -149.09 -45.9 0.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.771 0.319 . . . . 0.0 110.935 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 62.2 m-20 -98.41 147.32 24.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.963 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -103.03 30.56 4.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 97.06 -29.88 9.95 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.516 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 21.5 m -109.04 126.61 53.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.806 0.336 . . . . 0.0 110.964 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.7 t -134.8 125.25 45.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.069 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 59.0 25.86 60.15 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.557 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.02 -33.08 5.81 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.545 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.5 t -70.78 127.42 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.851 0.358 . . . . 0.0 111.172 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -93.32 146.5 23.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -131.69 -46.48 0.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.408 ' CG ' ' HD3' ' A' ' 34' ' ' ARG . 11.7 p90 -161.88 -177.55 5.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.7 mp -129.57 108.38 16.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 30.5 p -128.83 160.3 63.93 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.3 168.99 0.34 Allowed 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.554 2.169 . . . . 0.0 112.242 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.18 117.66 3.82 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.584 2.19 . . . . 0.0 112.305 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.6 mtpt 60.23 105.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.835 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -177.86 -38.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.97 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -69.97 116.97 7.13 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.458 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 9.5 tt -133.07 127.05 33.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.817 0.341 . . . . 0.0 110.924 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -95.67 128.57 42.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.903 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -138.97 151.51 46.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.044 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 58.6 m -67.52 145.8 54.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 22.2 m -57.71 -29.31 34.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.209 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.1 m -59.55 -30.39 68.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.998 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 6.8 mttp -103.0 36.79 2.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.948 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 37.0 mt -147.36 137.71 17.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.108 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.71 135.4 52.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.85 128.34 36.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.162 179.937 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 5.6 mmt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.826 0.346 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 49.5 mt -58.8 -45.32 90.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.942 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.5 t -63.65 -47.16 82.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.68 -33.4 72.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.17 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 22.3 mt -77.01 -42.06 40.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.95 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.04 43.34 2.24 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.471 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.0 tp -137.45 156.49 48.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.897 0.379 . . . . 0.0 110.925 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -119.96 156.9 29.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.756 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 44.9 mt -77.91 130.19 36.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 115.54 -32.0 5.91 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.527 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -72.1 153.75 41.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.84 0.353 . . . . 0.0 110.931 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.58 173.42 2.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.5 m -153.98 142.5 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.164 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 35.1 tp -91.55 114.93 27.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.839 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.8 mt -104.6 117.4 34.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.984 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 58.49 26.45 14.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.15 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 55.45 24.33 38.02 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.63 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -146.26 -59.55 0.31 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.838 0.352 . . . . 0.0 110.848 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.73 123.69 23.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -103.06 118.75 37.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -129.07 -169.62 12.61 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.529 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -130.86 126.09 35.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.801 0.334 . . . . 0.0 110.91 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 28.3 tp -62.36 138.87 58.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -132.46 -46.6 0.9 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -129.97 159.4 36.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.4 t -156.62 145.97 20.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 125.36 -135.53 9.34 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.496 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -100.18 173.2 6.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.843 0.354 . . . . 0.0 110.861 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.416 HG23 ' CZ ' ' A' ' 41' ' ' PHE . 0.5 OUTLIER -132.3 -178.17 4.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -109.0 -33.86 6.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.416 ' CZ ' HG23 ' A' ' 39' ' ' THR . 14.7 p90 -85.43 -29.64 24.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.022 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -123.05 119.79 31.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.062 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.76 108.3 10.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 150.59 -161.46 28.99 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.543 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -96.29 127.21 42.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.875 0.369 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 68.5 m95 -145.57 161.89 38.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.968 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 3.8 m -141.62 130.09 22.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.095 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -77.77 121.49 5.79 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.41 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.5 t -128.94 146.25 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.852 0.358 . . . . 0.0 111.11 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -103.45 132.4 49.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.869 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 82.9 mt -79.71 114.71 18.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.948 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -60.29 -36.64 78.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -75.41 160.37 79.87 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.47 63.53 1.63 Allowed 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.557 2.171 . . . . 0.0 112.287 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -150.87 135.17 16.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 178.55 166.27 34.47 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.516 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.6 mttm -124.08 -55.25 1.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.849 0.357 . . . . 0.0 110.912 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -86.94 148.56 25.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.944 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -100.47 29.41 4.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 95.05 -38.31 3.16 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.547 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.6 p -95.57 133.01 40.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.784 0.326 . . . . 0.0 110.934 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.7 t -149.46 132.66 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.105 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 59.75 23.56 58.91 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.602 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 95.83 -31.17 7.49 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.604 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.8 t -78.84 151.74 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.807 0.337 . . . . 0.0 111.101 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -124.72 134.3 52.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -112.28 -37.87 4.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -163.83 178.63 7.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.912 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 19.4 mt -126.97 114.61 38.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 30.6 p -127.1 160.31 60.29 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.04 178.18 0.04 OUTLIER 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.695 2.263 . . . . 0.0 112.295 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.29 103.26 0.08 OUTLIER 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.652 2.235 . . . . 0.0 112.323 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.96 81.2 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -152.66 29.2 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.956 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -133.95 143.37 15.03 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.1 tp -153.51 139.64 18.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.824 0.345 . . . . 0.0 110.966 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -106.38 135.03 48.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.839 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -140.92 176.46 8.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.93 155.03 19.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 7.1 m -58.46 -31.44 43.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.257 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.2 -29.21 69.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -97.32 25.9 5.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.055 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 30.7 mt -149.79 155.67 7.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.117 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.25 174.48 12.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.77 118.02 14.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.778 0.323 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.0 mt -59.77 -46.88 87.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.944 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 53.7 p -65.48 -31.82 73.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.04 -52.94 29.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.064 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 56.2 mt -74.88 -43.47 54.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 97.93 33.63 5.72 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.551 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.5 tp -109.78 144.19 38.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.797 0.332 . . . . 0.0 110.863 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.04 163.11 12.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.906 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 35.7 mt -85.93 111.19 20.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 132.24 -28.28 3.49 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.558 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -69.95 163.75 25.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.789 0.328 . . . . 0.0 110.93 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.4 161.93 17.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.3 m -145.5 169.0 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.4 tp -108.85 123.5 49.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.969 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 42.2 mt -98.86 126.19 44.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.829 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 62.19 26.86 16.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 56.95 27.3 56.66 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.639 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -151.17 -70.2 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.784 0.326 . . . . 0.0 110.851 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.92 153.82 20.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -114.72 145.56 41.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -155.85 159.52 29.35 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.461 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 m -100.58 134.43 43.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.759 0.314 . . . . 0.0 110.941 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.8 tp -72.15 141.71 49.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -130.04 -46.0 1.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -138.07 150.58 47.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.5 t -147.11 140.87 25.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 134.2 -131.44 5.96 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.561 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.3 p -110.9 136.13 50.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.824 0.345 . . . . 0.0 110.911 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.0 p -96.67 -179.89 4.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.821 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -100.12 -44.53 5.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -62.0 -31.44 71.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -135.51 152.22 51.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.142 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.64 122.56 46.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.946 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 138.91 -161.46 25.88 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.526 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -77.63 116.73 18.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.839 0.352 . . . . 0.0 110.947 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 92.3 m95 -142.76 146.49 34.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.8 m -143.51 136.99 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -87.8 115.67 4.4 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.489 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 25.8 t -120.69 146.29 25.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.833 0.349 . . . . 0.0 111.093 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -104.58 109.87 21.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 38.1 mt -60.01 133.32 55.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -59.48 -53.26 60.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.88 153.6 93.82 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.4 63.54 1.59 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.506 2.137 . . . . 0.0 112.264 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -147.34 149.61 33.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 167.39 -143.23 8.09 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.588 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -160.67 -46.31 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.717 0.294 . . . . 0.0 110.903 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -92.56 136.76 32.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.4 p-10 -99.5 31.34 3.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 80.12 28.4 49.59 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.493 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -155.98 125.31 6.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.824 0.345 . . . . 0.0 110.922 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.4 t -135.3 114.09 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.153 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 59.65 31.15 70.37 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.515 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.58 -29.04 10.98 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.468 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.5 t -74.37 113.54 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.833 0.349 . . . . 0.0 111.166 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.6 ttm-85 -88.66 127.7 35.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -102.48 -31.4 10.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.914 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -174.43 178.92 1.89 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.468 HD12 HG21 ' A' ' 69' ' ' ILE . 28.9 mt -115.33 102.35 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.171 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 28.9 p -124.15 154.82 68.47 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_endo -61.75 176.47 1.3 Allowed 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.526 2.151 . . . . 0.0 112.2 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -50.75 112.27 0.73 Allowed 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.536 2.157 . . . . 0.0 112.434 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt 60.55 110.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.07 -40.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.34 131.4 35.41 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.557 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 17.1 tp -135.99 131.26 34.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.887 0.375 . . . . 0.0 110.849 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -110.75 124.27 51.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -146.49 172.24 13.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.161 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.4 m -81.3 143.64 32.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.8 m -59.02 -29.2 40.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.176 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.5 m -58.66 -30.42 67.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.9 mttm -103.79 31.04 4.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.855 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 31.2 mt -148.01 140.03 18.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.111 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 63.8 p -118.57 179.08 4.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.1 ptmt -100.6 77.27 1.89 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.195 -179.993 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.734 0.302 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.7 mt -58.91 -53.31 59.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 81.4 p -60.56 -33.66 73.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.26 -53.49 24.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.065 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 18.4 mt -64.57 -51.26 63.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.941 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.09 43.72 0.77 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.502 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.7 tp -139.97 162.98 33.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.803 0.335 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.7 mtt180 -125.14 160.57 28.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.002 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 93.8 mt -65.11 135.59 55.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.78 19.7 36.39 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.696 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -108.62 158.59 17.45 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.876 0.37 . . . . 0.0 110.781 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.07 148.43 26.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 31.2 m -137.85 159.35 33.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.114 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.8 tp -101.68 117.97 35.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 88.9 mt -96.66 111.79 23.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.91 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.7 t70 59.51 28.8 18.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.002 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 57.42 50.86 61.46 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.572 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.3 -73.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.763 0.316 . . . . 0.0 110.868 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.42 158.89 30.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.96 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -130.67 126.43 36.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -131.1 172.14 20.78 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.541 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.1 m -107.77 114.59 28.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.787 0.327 . . . . 0.0 110.832 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.2 tp -62.59 107.77 1.01 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.89 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.415 ' HD3' ' CG ' ' A' ' 68' ' ' PHE . 1.6 mmp_? -96.46 -31.78 12.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -137.64 162.72 33.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 9.1 t -158.59 129.35 6.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.96 -132.21 5.28 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.472 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 30.4 p -104.48 172.86 6.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.842 0.353 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.414 HG21 ' CZ ' ' A' ' 41' ' ' PHE . 1.0 OUTLIER -135.17 170.83 15.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.854 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.96 -46.12 8.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.833 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.414 ' CZ ' HG21 ' A' ' 39' ' ' THR . 22.6 p90 -60.24 -31.54 70.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.927 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.93 110.52 6.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.047 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.13 95.52 2.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 178.88 -152.68 11.49 Favored Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -89.7 109.98 20.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.789 0.328 . . . . 0.0 110.903 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 92.1 m95 -141.75 153.2 44.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 31.0 m -144.17 139.86 24.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.152 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -83.07 116.84 4.28 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.481 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.5 t -122.15 126.01 73.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.8 0.333 . . . . 0.0 111.13 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -92.91 113.88 26.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 mt -63.16 127.74 32.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.57 -35.16 79.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -72.66 155.01 91.3 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.31 62.89 2.73 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.549 2.166 . . . . 0.0 112.302 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -159.78 150.0 18.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 177.34 -174.34 46.9 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -140.33 35.85 1.88 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.856 0.36 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -175.91 141.13 0.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -98.73 32.85 2.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.818 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 78.82 27.51 56.53 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.497 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 42.4 t -159.99 147.04 16.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.777 0.322 . . . . 0.0 110.944 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.4 t -133.87 106.91 9.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.098 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 62.18 -101.85 0.41 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.515 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -116.7 28.49 7.39 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.478 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.6 t -136.02 139.06 46.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.849 0.357 . . . . 0.0 111.054 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.3 ttm-85 -120.32 136.19 54.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.43 ' N ' ' CD1' ' A' ' 67' ' ' TYR . 3.6 m-85 -111.71 -34.19 6.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.415 ' CG ' ' HD3' ' A' ' 34' ' ' ARG . 24.2 p90 -168.81 -179.13 3.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.952 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 1.6 pt -118.04 129.87 73.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.087 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 30.3 p -156.56 161.8 28.8 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -56.05 169.35 1.47 Allowed 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.647 2.232 . . . . 0.0 112.136 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -63.76 123.09 11.41 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.538 2.159 . . . . 0.0 112.195 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.3 mttp 62.34 89.37 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -165.86 -43.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -78.99 144.52 27.54 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.486 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -153.32 146.76 24.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.802 0.334 . . . . 0.0 110.948 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -109.33 146.76 33.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -155.98 176.16 13.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.095 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.7 m -88.15 143.43 27.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 15.5 m -57.67 -29.18 33.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.247 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.2 m -59.79 -30.67 69.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.972 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.4 mtpt -103.04 30.15 5.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.984 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 41.8 mt -141.77 154.4 19.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.074 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.96 180.0 5.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.936 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 11.1 tttm -97.28 38.91 1.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.837 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.0 mmt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.778 0.323 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 25.9 mt -62.72 -53.52 53.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.4 m -60.79 -32.48 71.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.99 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.35 -36.23 83.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.158 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.5 mt -84.05 -53.4 5.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.945 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 125.42 41.55 0.35 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.506 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.0 tp -146.2 158.32 43.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.783 0.325 . . . . 0.0 110.866 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -118.59 168.63 10.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 55.7 mt -73.53 152.25 40.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.985 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.35 -42.38 2.08 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.433 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.59 175.37 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.826 0.346 . . . . 0.0 110.87 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -107.18 161.45 14.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.8 m -132.9 162.68 39.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.115 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.3 tp -107.4 120.5 42.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.929 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 64.3 mt -96.07 118.38 32.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.9 t0 61.09 28.32 18.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 57.31 39.04 89.67 Favored Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.529 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -155.99 -72.69 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.831 0.348 . . . . 0.0 110.985 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.19 150.64 29.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -121.6 129.66 52.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -132.13 166.47 23.23 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.487 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.7 m -110.65 111.09 22.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 0.0 110.928 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 59.9 tp -60.18 147.29 40.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.77 -47.48 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -119.91 150.7 40.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 48.4 t -153.57 150.12 28.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 115.37 -157.98 14.66 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.8 -0.715 . . . . 0.0 112.518 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.1 p -80.88 173.06 12.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.872 0.368 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 17.4 p -134.25 169.21 17.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -74.9 -44.41 48.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.933 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.419 ' CD1' ' N ' ' A' ' 42' ' ' ALA . 40.4 p90 -63.37 -38.61 91.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.815 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.419 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . -144.77 144.18 31.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.106 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.85 98.05 7.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -166.18 -124.41 0.71 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.487 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -119.82 112.79 19.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.863 0.363 . . . . 0.0 110.857 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 72.5 m95 -143.59 146.92 33.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 29.5 m -145.6 135.2 17.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.183 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -75.36 123.22 7.12 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.546 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.2 t -122.89 127.12 74.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.853 0.359 . . . . 0.0 111.091 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -104.86 105.32 15.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 57.0 mt -59.98 127.55 32.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -65.34 -39.5 92.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.91 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.47 160.42 79.61 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.855 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.97 62.71 2.47 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.605 2.204 . . . . 0.0 112.244 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -143.23 154.21 43.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 160.14 -134.69 3.75 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.472 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -176.42 -40.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.79 0.329 . . . . 0.0 110.921 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -110.08 157.67 19.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.65 27.75 4.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.028 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 95.84 -27.88 14.61 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.51 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.1 t -107.15 142.58 36.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.854 0.359 . . . . 0.0 110.932 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.6 t -137.05 123.58 28.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 65.28 -119.74 15.47 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.455 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -110.02 28.3 10.67 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.541 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.6 t -147.13 139.88 19.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.79 0.328 . . . . 0.0 111.08 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -120.21 143.7 48.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.948 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -107.33 -31.12 8.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 30.6 p90 -173.23 -178.16 1.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 10.3 pt -115.44 140.2 38.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.18 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 31.5 p -155.92 153.03 25.02 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.974 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -52.6 176.28 0.07 OUTLIER 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.659 2.239 . . . . 0.0 112.314 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.24 110.06 0.41 Allowed 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.634 2.222 . . . . 0.0 112.233 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.3 mttt 60.86 111.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -177.1 -39.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.957 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -59.43 124.63 37.04 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.498 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.9 tp -138.26 114.85 10.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.786 0.327 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -99.13 140.37 33.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.913 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -157.57 -179.98 8.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.17 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.73 147.49 25.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 31.1 m -57.69 -34.09 46.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.226 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 59.8 m -64.35 -28.14 69.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.082 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -97.76 28.97 3.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.084 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.465 HD11 HG21 ' A' ' 83' ' ' ILE . 30.6 mt -150.59 153.22 10.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.884 0.373 . . . . 0.0 111.152 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 17.1 m -113.32 171.3 7.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.83 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.7 pttt -99.99 47.61 0.94 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.969 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.123 179.942 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 3.1 mpp? . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.857 0.361 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 21.5 mt -59.19 -29.8 67.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.957 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.13 -31.39 34.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.956 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.63 -32.16 70.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.183 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.5 mt -94.35 -58.95 2.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 123.89 40.38 0.45 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.54 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 26.2 tp -128.64 161.96 28.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.838 0.352 . . . . 0.0 110.961 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.1 ttt85 -127.45 161.05 29.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.8 mt -76.84 151.01 36.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.841 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.63 -29.8 9.84 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.432 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.06 168.95 18.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.792 0.33 . . . . 0.0 110.886 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -93.42 149.81 20.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.5 m -130.74 168.84 22.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.055 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.8 tp -115.08 104.97 12.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 32.1 mt -81.86 125.62 30.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.945 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 60.08 26.54 15.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.033 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 55.47 43.43 85.32 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.716 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -166.65 -67.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.796 0.331 . . . . 0.0 110.927 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.94 134.82 57.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.15 123.43 43.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -133.45 177.28 19.12 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.536 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 60.1 m -125.29 125.03 42.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.815 0.34 . . . . 0.0 110.913 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 35.8 tp -67.22 140.11 57.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.421 ' HD3' ' CG ' ' A' ' 68' ' ' PHE . 3.0 mtp85 -131.56 -52.88 1.01 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.965 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.432 ' CD2' ' N ' ' A' ' 36' ' ' CYS . 54.8 t80 -109.39 163.32 13.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.432 ' N ' ' CD2' ' A' ' 35' ' ' PHE . 23.2 p -155.36 116.49 3.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.19 -148.85 20.43 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.475 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 47.5 p -85.24 -178.27 6.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.804 0.335 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.4 p -129.66 177.4 7.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -93.55 -43.42 8.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.941 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -70.05 -31.59 69.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -135.24 -179.61 5.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -133.63 138.8 46.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 139.45 -156.5 24.66 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.472 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -92.7 106.34 18.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.808 0.337 . . . . 0.0 110.889 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 77.3 m95 -132.4 154.79 49.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.7 m -144.17 137.01 23.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -80.44 123.5 6.09 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.411 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.6 t -129.07 133.29 66.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.867 0.365 . . . . 0.0 111.094 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -105.48 115.44 30.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.2 mp -73.21 138.47 45.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.947 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -65.09 -48.88 72.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -65.5 151.65 93.96 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -72.02 62.24 3.24 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.544 2.162 . . . . 0.0 112.268 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -155.71 100.53 2.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -129.78 -113.51 1.64 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.499 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -176.63 -47.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.791 0.329 . . . . 0.0 110.867 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -111.56 158.78 18.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -98.42 30.53 3.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.41 ' HA2' ' CE1' ' A' ' 68' ' ' PHE . . . 96.26 -27.77 15.66 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.526 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -109.14 142.88 39.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.866 0.365 . . . . 0.0 110.84 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.4 t -142.07 117.25 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.16 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 64.02 27.09 70.85 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.569 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 99.4 -28.02 17.39 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.549 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.5 t -79.85 118.87 28.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.81 0.338 . . . . 0.0 111.102 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 35.9 ttp180 -94.29 117.47 30.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -92.72 -30.91 15.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.907 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.421 ' CG ' ' HD3' ' A' ' 34' ' ' ARG . 15.5 p90 -174.18 179.87 1.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.965 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.9 mp -121.78 124.19 70.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.081 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 31.5 p -152.25 160.98 30.59 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.944 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -49.81 167.45 0.2 Allowed 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.541 2.161 . . . . 0.0 112.255 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -58.22 122.55 11.87 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.606 2.204 . . . . 0.0 112.235 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.58 91.97 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.84 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -162.67 -44.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.975 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -72.31 130.25 15.65 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.499 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.2 tp -135.69 120.97 19.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.804 0.335 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -99.85 117.28 33.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -138.46 170.85 15.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.079 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.8 m -80.86 150.46 29.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 23.0 m -59.8 -26.04 34.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.241 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 84.4 p -56.18 -31.47 63.45 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.008 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -107.17 30.61 6.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.812 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 30.4 mt -142.17 145.1 24.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.066 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.1 m -138.27 177.83 7.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.987 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -78.32 134.38 37.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.87 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 179.93 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.1 tpt . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.873 0.368 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.3 mt -59.11 -31.26 68.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.959 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.1 m -70.43 -51.4 29.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.41 -32.68 72.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.068 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.0 mt -74.95 -65.05 0.92 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.925 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 128.63 43.01 0.23 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.867 -0.683 . . . . 0.0 112.485 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.4 tp -148.62 154.34 39.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.754 0.312 . . . . 0.0 110.913 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.42 153.22 31.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 28.4 mt -59.97 131.33 50.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.72 -24.12 33.19 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.588 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -59.92 152.35 23.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.774 0.321 . . . . 0.0 110.86 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.1 ttm-85 -72.4 145.48 47.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 16.0 m -135.77 141.33 42.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.043 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.9 tp -100.68 117.5 34.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.84 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.6 mt -102.28 135.53 43.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 59.52 24.97 13.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.027 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 55.45 38.45 70.03 Favored Glycine 0 C--N 1.33 0.246 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.673 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -168.32 -59.2 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.791 0.329 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.01 138.95 57.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -105.32 118.99 37.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -121.85 158.37 16.56 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.552 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -114.6 117.35 30.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.786 0.327 . . . . 0.0 110.965 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 46.1 tp -60.23 150.92 28.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -142.67 -56.14 0.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.426 ' CD2' ' CD1' ' A' ' 67' ' ' TYR . 71.7 t80 -125.38 162.16 25.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.957 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.5 t -153.51 154.69 34.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.794 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 125.54 -145.45 15.71 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.486 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.6 p -103.31 154.19 19.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.839 0.352 . . . . 0.0 110.834 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.415 HG23 ' CZ ' ' A' ' 41' ' ' PHE . 20.1 p -104.42 179.06 4.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -100.46 -46.68 5.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.912 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.415 ' CZ ' HG23 ' A' ' 39' ' ' THR . 26.1 p90 -62.99 -31.66 72.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.808 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -134.4 171.59 14.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.14 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 22.2 t -119.47 140.37 50.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 139.12 -151.09 21.62 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.481 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.82 108.41 16.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.759 0.314 . . . . 0.0 110.873 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 42.5 m95 -120.38 165.08 15.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 29.4 m -151.79 134.89 7.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.15 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -74.97 116.06 4.9 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.481 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.4 t -121.83 120.45 61.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.814 0.34 . . . . 0.0 111.156 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -93.98 115.12 27.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 46.1 mt -71.02 128.54 36.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.847 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -60.37 -43.04 96.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.37 163.47 64.18 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.944 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 78.93 0.96 Allowed 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.55 2.167 . . . . 0.0 112.258 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.99 138.84 10.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.831 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 171.92 169.05 34.26 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.505 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.8 ttmm -115.42 -36.01 4.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.813 0.339 . . . . 0.0 111.013 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -106.81 167.84 9.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -117.41 28.88 8.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.946 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.418 ' HA2' ' CE2' ' A' ' 68' ' ' PHE . . . 95.99 -33.22 5.71 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.535 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.5 m -114.58 142.59 46.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.864 0.364 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.414 HG22 ' CE2' ' A' ' 77' ' ' PHE . 21.6 t -135.22 110.88 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.131 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 62.06 -116.47 9.41 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.488 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -108.88 28.41 11.33 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.5 t -133.4 133.12 57.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.874 0.368 . . . . 0.0 111.107 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.41 128.9 56.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.922 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.426 ' CD1' ' CD2' ' A' ' 35' ' ' PHE . 43.1 m-85 -114.88 -38.41 3.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.418 ' CE2' ' HA2' ' A' ' 60' ' ' GLY . 22.8 p90 -166.43 -178.09 4.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 21.4 mt -125.82 125.88 69.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 27.9 p -146.65 147.46 30.35 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.19 172.56 0.19 Allowed 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.495 2.13 . . . . 0.0 112.373 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -52.57 118.85 5.09 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.594 2.196 . . . . 0.0 112.262 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.9 mtmm 60.06 99.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -171.78 -41.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -81.79 128.24 8.36 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.608 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.9 tt -133.36 120.66 21.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.889 0.376 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.414 ' CE2' HG22 ' A' ' 62' ' ' VAL . 90.2 m-85 -82.74 109.95 17.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.956 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -122.8 177.59 5.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.099 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 34.9 m -99.87 137.95 37.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 12.9 m -54.94 -29.95 22.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.276 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.7 m -65.45 -28.52 69.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.037 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -103.32 28.48 6.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.2 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 48.9 mt -139.35 153.83 24.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.045 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 72.2 p -131.36 179.96 5.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -90.61 130.91 36.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.135 179.956 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.527 0.089 0 CA-C-O 120.811 0.339 . . . . 0.0 110.815 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.0 mt -65.65 -31.18 72.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.9 t -84.97 -32.3 23.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.85 -32.99 71.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.186 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.1 mt -86.01 -49.47 7.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.1 38.44 1.14 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.5 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.9 tp -149.39 152.41 35.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.754 0.311 . . . . 0.0 110.896 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 -112.43 166.03 11.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.2 mt -76.65 143.39 40.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.018 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.73 -28.2 14.56 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.474 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.25 180.0 0.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.843 0.354 . . . . 0.0 110.843 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -98.81 145.33 27.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.7 m -140.58 148.23 22.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.111 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.3 tp -104.33 118.41 36.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 76.4 mt -89.9 123.03 33.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.05 23.15 11.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 54.32 52.51 43.92 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.675 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -167.54 -50.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.833 0.349 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.79 133.17 34.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.912 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -95.32 116.91 29.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.867 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -121.25 160.42 15.59 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.52 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -108.19 119.44 39.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.794 0.331 . . . . 0.0 110.885 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 15.8 tp -60.29 138.63 57.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -128.69 -51.08 1.25 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.822 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -125.22 156.97 37.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 31.0 t -158.8 143.04 15.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.971 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 126.87 -140.56 12.01 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.468 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -96.11 163.54 13.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.843 0.354 . . . . 0.0 110.849 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 30.3 p -113.33 160.81 17.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -87.09 -43.63 12.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 31.0 p90 -66.1 -35.04 79.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -135.56 -176.65 4.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.123 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.5 t -123.96 161.74 24.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 122.8 -139.36 12.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.456 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.7 109.03 8.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.787 0.327 . . . . 0.0 110.89 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 70.0 m95 -124.48 165.52 17.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 13.4 m -151.11 130.02 3.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -79.66 127.3 7.9 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.48 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 22.1 t -126.65 139.42 51.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.841 0.353 . . . . 0.0 111.065 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -107.78 100.25 9.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.855 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.0 mt -60.04 136.54 58.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -67.38 -51.87 46.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -65.15 164.0 26.46 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.66 62.94 2.3 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.579 2.186 . . . . 0.0 112.219 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -143.79 140.82 30.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.951 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 179.29 -156.71 19.11 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.535 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.9 mmmt -150.23 -50.04 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.813 0.34 . . . . 0.0 110.964 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -114.78 159.82 20.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.971 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -104.34 33.71 3.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.919 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 74.0 23.88 75.18 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.492 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.97 111.35 6.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.768 0.318 . . . . 0.0 110.79 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 20.5 t -128.08 129.41 69.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.193 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 59.21 -108.82 1.78 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.53 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -125.64 28.52 4.95 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.456 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.5 t -137.38 130.78 43.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.872 0.368 . . . . 0.0 111.128 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -105.77 122.09 45.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -92.35 -31.58 15.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.983 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 29.1 p90 -176.47 174.28 1.94 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.4 mp -118.65 119.98 62.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 24.2 p -140.45 156.65 69.44 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.841 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.17 167.28 0.53 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.559 2.173 . . . . 0.0 112.292 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -53.11 118.46 4.84 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.643 2.229 . . . . 0.0 112.332 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.27 104.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.992 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -176.83 -39.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.2 118.04 4.61 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.463 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 43.6 tp -123.35 128.16 49.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.827 0.346 . . . . 0.0 110.884 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -97.36 117.55 31.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -135.05 167.73 20.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.115 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 m -75.76 147.48 39.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 11.4 m -59.55 -30.71 45.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.213 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 19.3 m -60.46 -29.83 69.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.954 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -98.37 31.06 2.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 28.6 mt -148.18 153.44 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.045 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 89.0 p -132.81 150.06 52.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.938 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.8 mtmt -60.38 131.12 49.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.031 -179.933 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 61.9 mtp . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.785 0.326 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 56.3 mt -68.9 -29.81 68.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.6 t -58.33 -48.84 79.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.934 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.6 -44.06 68.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.129 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.9 mt -64.63 -31.21 72.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.74 29.54 10.62 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.488 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 17.1 tp -113.5 163.78 14.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.796 0.332 . . . . 0.0 110.914 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.1 mtt85 -121.57 167.9 12.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.1 mt -93.07 142.19 27.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.6 -28.42 13.46 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.492 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.67 179.98 0.96 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.814 0.34 . . . . 0.0 110.933 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.64 157.38 15.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.84 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 17.1 m -138.25 163.83 28.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.8 tp -114.66 117.51 31.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.008 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 54.7 mt -95.89 130.43 42.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.9 t70 60.73 25.73 15.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.019 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 55.45 45.97 82.15 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.681 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -170.72 -64.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.798 0.332 . . . . 0.0 110.947 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.02 150.01 30.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.946 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 77.5 p -116.5 133.96 55.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -139.39 171.42 23.72 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.49 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.2 m -117.29 120.55 38.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.805 0.336 . . . . 0.0 110.947 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 19.3 tp -75.47 140.14 42.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.906 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 9.4 mtp180 -133.55 -46.67 0.81 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.441 ' CD1' ' N ' ' A' ' 36' ' ' CYS . 59.9 t80 -115.85 160.24 20.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.441 ' N ' ' CD1' ' A' ' 35' ' ' PHE . 53.0 t -160.01 154.51 23.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.895 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.32 -153.41 17.63 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.494 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.3 p -90.71 151.58 21.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.812 0.339 . . . . 0.0 110.929 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.4 p -99.16 -178.53 3.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.818 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -92.15 -56.85 2.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -60.05 -30.31 69.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.968 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -133.39 174.16 10.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.067 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -134.1 150.33 51.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 130.41 -143.61 14.93 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.473 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -102.11 111.33 23.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.87 0.367 . . . . 0.0 110.857 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 96.6 m95 -135.74 149.66 49.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.3 m -147.51 126.89 4.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -82.99 123.13 5.97 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.6 t -127.62 138.18 55.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.823 0.344 . . . . 0.0 111.012 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -97.84 118.72 35.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.937 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.1 mt -71.64 127.37 32.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.89 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -67.45 -34.2 76.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.09 156.54 85.91 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.35 63.01 2.13 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.596 2.197 . . . . 0.0 112.27 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -154.58 140.48 18.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -174.59 -129.7 1.21 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.539 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.56 -40.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.889 0.376 . . . . 0.0 110.95 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 26.5 m-20 -115.51 -178.36 3.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -120.24 29.9 7.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.411 ' HA2' ' CE2' ' A' ' 68' ' ' PHE . . . 94.21 -41.7 2.57 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.528 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 37.8 p -102.58 139.62 37.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.763 0.316 . . . . 0.0 110.927 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.5 t -127.17 115.91 42.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.041 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 59.64 -121.07 25.46 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.409 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -97.24 24.17 32.54 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.664 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.401 HG11 ' CZ ' ' A' ' 67' ' ' TYR . 30.2 t -129.24 135.56 61.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.876 0.37 . . . . 0.0 110.984 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.2 ttt180 -117.89 124.61 48.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.933 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.423 ' N ' ' CD1' ' A' ' 67' ' ' TYR . 4.1 m-85 -108.07 -35.53 6.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.971 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.411 ' CE2' ' HA2' ' A' ' 60' ' ' GLY . 24.8 p90 -177.13 175.12 1.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.458 HD11 HG23 ' A' ' 69' ' ' ILE . 12.5 pt -117.07 121.16 67.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.152 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.1 p -138.17 158.66 70.58 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.47 164.38 1.39 Allowed 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.514 2.142 . . . . 0.0 112.268 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.69 117.7 3.96 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.603 2.202 . . . . 0.0 112.245 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.6 mmtp 59.95 92.01 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.75 -42.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -73.41 117.59 5.9 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.493 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.04 131.4 34.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.841 0.353 . . . . 0.0 110.919 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -96.13 155.02 16.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -160.05 161.99 34.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.079 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.7 m -73.41 148.07 43.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.829 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 20.8 m -55.55 -30.44 26.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.326 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.8 m -57.8 -26.89 62.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt -107.66 41.52 1.5 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.025 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 22.0 mm -135.57 140.91 43.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.157 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -125.64 156.61 38.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.752 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 11.3 mttm -77.29 124.77 28.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.057 179.962 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 57.6 mmm . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.864 0.364 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.8 mt -59.34 -30.85 68.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.974 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.0 p -59.75 -31.38 69.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.94 -31.65 17.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.095 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.1 mt -71.82 -43.61 65.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.38 37.91 5.77 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.46 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.6 tp -139.15 163.16 33.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.788 0.328 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -112.46 160.19 18.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.8 mt -72.65 145.68 47.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.06 -36.86 3.67 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.484 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -60.18 160.52 8.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.785 0.326 . . . . 0.0 110.961 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.5 mtt180 -79.2 160.69 26.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 19.3 m -135.35 178.74 4.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.138 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.3 tp -122.55 115.65 22.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 40.6 mt -98.02 129.67 44.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.5 t70 60.37 27.21 16.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.968 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 56.07 25.81 47.46 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.696 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -152.93 -59.97 0.14 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.761 0.315 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.04 157.4 12.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -121.37 144.64 48.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.827 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -151.92 -177.68 25.88 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.493 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.8 m -123.71 121.27 35.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.793 0.33 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 21.1 tp -67.55 121.57 16.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.927 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.428 ' HD3' ' CG ' ' A' ' 68' ' ' PHE . 29.2 mtp85 -115.83 -39.15 3.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.868 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -133.06 153.06 51.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 25.3 t -159.82 137.97 10.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.935 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 130.35 -130.77 6.31 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.52 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -107.43 164.42 12.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.826 0.346 . . . . 0.0 110.837 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.6 p -122.7 179.85 4.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.16 -30.48 15.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -98.81 30.9 3.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.94 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -170.81 148.22 2.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.122 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.4 m -114.99 36.64 3.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -132.95 -153.4 7.2 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.518 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -97.81 124.27 42.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.867 0.365 . . . . 0.0 110.856 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 79.0 m95 -141.11 160.45 40.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.1 m -151.1 134.93 8.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.131 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.413 ' HA3' ' CE1' ' A' ' 77' ' ' PHE . . . -99.46 122.72 7.67 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.46 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.3 t -134.63 136.33 52.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.855 0.36 . . . . 0.0 111.09 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -81.23 126.22 31.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.4 mt -74.68 131.88 41.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.949 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -61.16 -35.74 77.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.927 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -93.55 157.49 38.36 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.61 65.43 1.71 Allowed 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.537 2.158 . . . . 0.0 112.223 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -134.25 155.06 50.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.914 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 141.45 -158.99 26.69 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.472 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.8 tptm -145.67 -47.89 0.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.786 0.327 . . . . 0.0 110.937 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 -89.92 153.65 20.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.58 30.03 3.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.798 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.32 -31.75 7.12 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.565 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 75.0 p -110.64 146.37 36.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.856 0.36 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.6 t -126.51 106.27 15.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.058 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 62.99 -97.96 0.21 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.477 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -119.27 28.38 6.59 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.5 t -132.82 117.89 31.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.803 0.335 . . . . 0.0 111.133 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.1 ttt180 -99.41 126.15 45.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -105.0 -33.31 8.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.428 ' CG ' ' HD3' ' A' ' 34' ' ' ARG . 12.4 p90 -177.0 -178.53 0.83 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.942 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 27.8 mt -114.88 117.22 54.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.083 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 16.8 p -140.73 156.15 69.06 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.403 ' CB ' ' HD2' ' A' ' 72' ' ' PRO . 17.1 Cg_endo -57.59 173.24 0.8 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.584 2.19 . . . . 0.0 112.084 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.403 ' HD2' ' CB ' ' A' ' 71' ' ' PRO . 18.8 Cg_endo -58.18 114.85 2.15 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.544 2.163 . . . . 0.0 112.237 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.7 mttm 61.83 77.22 0.34 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.988 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -159.2 28.53 0.2 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -139.16 126.45 3.36 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.423 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 10.9 tp -126.17 146.77 49.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.825 0.345 . . . . 0.0 110.93 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . 0.413 ' CE1' ' HA3' ' A' ' 48' ' ' GLY . 93.3 m-85 -127.33 106.53 9.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.81 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -131.39 176.34 8.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.183 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.0 m -76.38 166.13 23.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 8.3 m -63.26 -29.6 47.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.33 -30.49 68.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.94 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt -97.79 36.66 1.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.96 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 23.1 mm -140.03 152.45 22.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.114 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.2 m -145.23 160.97 40.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.78 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.46 134.12 37.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.827 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.054 179.905 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.0 mpp? . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.817 0.341 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.2 mt -59.12 -31.84 69.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.4 t -69.58 -46.72 65.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.8 -30.91 59.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.7 mt -72.66 -59.57 2.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.836 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.28 52.65 0.44 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.5 tp -154.79 160.6 41.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.848 0.356 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.16 166.28 12.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.8 mt -79.05 159.13 27.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.37 22.01 58.01 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.562 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -105.38 157.41 17.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.774 0.321 . . . . 0.0 110.857 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.3 ttp180 -82.54 141.7 32.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.946 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 16.8 m -132.15 164.9 33.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.131 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 23.9 tp -106.56 110.74 23.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 65.1 mt -92.32 131.62 37.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 59.37 25.47 14.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.048 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 55.75 36.49 65.78 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.695 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.33 -51.53 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.853 0.359 . . . . 0.0 110.891 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.29 161.84 30.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.1 p -123.72 143.98 49.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.825 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -142.61 -179.96 19.84 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.459 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.83 110.36 14.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.856 0.36 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.5 tp -60.51 125.05 22.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.421 ' HD3' ' CG ' ' A' ' 68' ' ' PHE . 4.9 mtp85 -121.91 -42.67 2.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.968 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -131.13 154.91 47.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.929 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.0 t -155.9 141.92 18.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 127.15 -139.85 11.48 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.533 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -88.93 162.28 16.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.779 0.323 . . . . 0.0 110.958 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.432 ' CG2' ' CE2' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -127.62 167.84 15.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.851 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.59 -30.94 26.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.432 ' CE2' ' CG2' ' A' ' 39' ' ' THR . 53.8 p90 -84.34 -31.0 25.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.93 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.65 105.5 4.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.243 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -78.61 117.73 20.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 164.69 -112.21 0.5 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.503 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -130.96 104.09 6.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.778 0.323 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 71.2 m95 -137.85 165.6 26.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 30.9 m -148.83 131.38 6.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -88.24 115.94 4.49 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.499 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.5 t -122.37 150.67 26.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.85 0.357 . . . . 0.0 111.088 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -105.97 116.46 31.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.882 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 50.1 mt -62.83 129.73 41.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.37 -34.97 78.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -86.58 156.24 56.23 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -62.26 75.63 0.1 OUTLIER 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.736 2.291 . . . . 0.0 112.314 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -160.05 141.7 12.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 174.63 -169.1 42.0 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.557 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.7 mtmm -132.03 -46.43 0.93 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.891 0.377 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -111.59 167.07 10.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -108.0 35.41 3.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.852 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 102.37 -47.02 1.18 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.45 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -103.21 133.88 47.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.821 0.343 . . . . 0.0 110.889 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.5 t -135.51 133.45 52.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.07 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 59.63 27.1 63.32 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.507 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.3 -29.6 9.94 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.544 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 28.5 t -73.14 149.6 8.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.826 0.346 . . . . 0.0 111.074 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.8 ttp180 -125.51 119.22 27.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -104.58 -32.68 8.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.966 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.421 ' CG ' ' HD3' ' A' ' 34' ' ' ARG . 33.6 p90 -171.61 -177.8 2.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 27.9 mm -117.68 144.25 26.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.025 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 28.4 p -168.31 151.48 5.5 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.947 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.47 171.34 0.21 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.52 2.147 . . . . 0.0 112.291 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.34 117.5 3.69 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.596 2.197 . . . . 0.0 112.247 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 42.2 mttp 60.19 102.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -172.2 -41.67 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.981 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.54 102.49 0.89 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.424 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.9 tp -104.93 127.82 52.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.824 0.345 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -103.9 122.37 45.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.857 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -141.25 179.55 6.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.135 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.5 m -94.16 146.75 23.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 16.5 m -57.63 -30.19 36.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.211 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 93.9 p -60.11 -30.22 69.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.025 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.0 mttm -102.08 32.51 3.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.976 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.458 HD13 HG21 ' A' ' 83' ' ' ILE . 40.2 mt -146.06 145.02 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.167 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.7 t -121.77 172.4 8.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.94 123.36 32.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.938 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.03 179.999 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.799 0.333 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 83.8 mt -61.01 -31.86 71.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.94 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 63.5 p -59.78 -30.78 69.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.979 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.81 -39.08 17.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.16 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.0 mt -70.04 -30.83 68.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.967 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.01 27.7 33.34 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.446 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 tp -123.64 164.72 18.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.837 0.351 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -125.42 148.76 48.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.773 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.2 mt -58.16 151.64 18.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.28 -28.46 15.64 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.483 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.26 170.49 16.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.821 0.343 . . . . 0.0 110.862 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -92.27 160.57 15.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 19.3 m -133.94 160.93 41.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 21.8 tp -95.95 121.13 37.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.817 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.5 mt -105.66 113.1 26.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.028 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 56.28 24.16 7.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.343 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 54.3 41.2 70.46 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.699 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -155.88 -48.68 0.08 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.823 0.344 . . . . 0.0 110.885 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.45 142.31 29.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.952 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.1 p -112.46 134.33 54.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -132.95 -174.06 13.49 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.461 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.7 m -124.2 122.82 38.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.875 0.369 . . . . 0.0 110.982 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 21.9 tp -68.33 123.76 21.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -113.12 -58.95 2.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -117.09 158.8 23.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.3 t -154.45 148.43 25.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 122.23 -146.25 16.8 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.512 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -106.42 141.46 37.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.848 0.356 . . . . 0.0 110.949 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 34.9 p -83.89 -178.31 6.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -105.26 -40.68 5.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.973 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.411 ' CD1' ' HB3' ' A' ' 42' ' ' ALA . 47.7 p90 -68.45 -31.53 70.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.936 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.411 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . . . -131.36 -173.59 3.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.116 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 24.4 p -128.64 143.43 50.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 129.5 169.72 12.6 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.502 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -79.13 101.42 7.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.751 0.31 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -109.6 153.79 23.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.949 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 16.8 m -143.51 127.09 13.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -80.54 121.91 5.57 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.474 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.6 t -120.69 132.03 71.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.802 0.334 . . . . 0.0 111.133 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -95.65 115.03 26.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 18.5 mt -61.29 115.41 3.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.934 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.18 -31.38 70.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.934 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -94.77 161.51 28.42 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.998 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.56 83.73 0.82 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.547 2.164 . . . . 0.0 112.274 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -160.02 173.66 15.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.956 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 115.72 177.24 18.45 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.601 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.02 31.46 2.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.783 0.325 . . . . 0.0 110.801 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -145.28 167.98 21.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.852 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -129.48 26.01 5.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.031 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 94.34 -24.86 25.35 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.619 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 t -115.08 141.1 48.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.812 0.339 . . . . 0.0 110.978 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.6 t -123.19 113.52 38.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 63.83 -90.57 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.526 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -129.13 23.03 4.99 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.583 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.1 t -128.75 129.61 68.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.833 0.349 . . . . 0.0 110.971 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 34.3 ttm-85 -111.94 134.1 53.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.935 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -115.06 -42.14 3.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 30.1 p90 -159.22 -177.72 6.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.76 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 15.5 mt -126.19 142.77 41.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 8.7 p -161.1 160.84 24.52 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.6 172.06 0.18 Allowed 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.604 2.203 . . . . 0.0 112.253 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.29 106.26 0.14 Allowed 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.51 2.14 . . . . 0.0 112.343 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt 60.63 83.62 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.953 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.65 28.28 0.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.941 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -158.54 149.14 19.18 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.488 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -150.51 149.76 30.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.781 0.324 . . . . 0.0 110.946 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -106.07 123.88 48.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -132.54 179.58 6.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.17 160.27 14.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 17.3 m -58.35 -34.57 50.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.165 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 31.7 t -67.51 -27.13 66.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.956 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.27 22.95 7.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.135 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 28.3 mt -150.72 156.47 6.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.033 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.5 m -135.22 141.23 45.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -60.35 123.0 15.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.044 -179.98 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.772 0.32 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.7 mt -73.35 -37.01 66.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.4 m -64.5 -39.08 93.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.03 -50.69 65.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.101 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.5 mt -64.07 -67.16 0.45 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 131.63 43.42 0.17 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.49 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 tp -139.05 154.03 48.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.812 0.339 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.1 mtt-85 -115.02 149.55 37.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 70.0 mt -59.09 167.92 1.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.916 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.94 19.4 50.33 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.649 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -108.25 167.34 10.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.841 0.353 . . . . 0.0 110.918 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.16 154.99 16.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.3 m -138.12 169.25 18.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.152 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.5 tp -110.89 113.82 26.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.908 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 79.9 mt -90.5 123.1 33.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 61.27 28.05 17.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.98 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 56.84 27.21 55.85 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.585 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 -152.26 -64.68 0.17 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.833 0.349 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.56 152.91 24.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.821 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.7 p -114.56 132.09 56.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -140.96 155.97 25.26 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.546 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.14 128.67 53.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.362 . . . . 0.0 110.874 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.9 tp -77.24 147.64 36.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.816 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.422 ' HD3' ' CG ' ' A' ' 68' ' ' PHE . 12.0 mtp180 -142.11 -46.84 0.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -113.66 150.17 33.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 30.4 p -142.75 143.0 32.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 112.39 178.56 19.82 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.525 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 73.7 p -59.1 162.19 4.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.724 0.297 . . . . 0.0 110.966 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.7 p -104.89 -178.88 3.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.86 -28.02 13.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -113.58 37.77 3.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.991 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -174.68 160.65 3.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.18 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 12.5 t -104.45 150.54 24.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 95.39 178.45 37.05 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.448 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -82.68 130.91 35.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.81 0.338 . . . . 0.0 110.959 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 25.2 m95 -129.34 161.61 29.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 8.5 m -146.41 130.65 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.108 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -77.55 122.39 6.08 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.443 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.4 t -122.64 144.58 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.348 . . . . 0.0 111.16 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -112.14 110.0 20.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.82 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 56.1 mt -59.99 143.52 51.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -79.47 -53.28 7.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -74.2 156.59 87.46 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.8 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -59.58 80.91 0.06 OUTLIER 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.616 2.211 . . . . 0.0 112.281 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -151.98 138.85 18.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.818 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 149.31 171.76 18.27 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.462 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.5 tptp -141.92 31.59 1.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.805 0.336 . . . . 0.0 110.855 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -159.32 163.26 35.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -106.38 33.05 4.05 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.94 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.414 ' HA3' ' CE2' ' A' ' 68' ' ' PHE . . . 65.07 28.53 73.65 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.478 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 35.7 t -157.56 160.38 38.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.803 0.335 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.4 t -130.6 156.99 42.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.085 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.73 90.76 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.452 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 127.7 -28.68 4.39 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.461 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.6 t -137.7 130.15 41.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.809 0.337 . . . . 0.0 111.16 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.3 ttm105 -107.66 113.21 26.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -84.51 -43.62 14.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.422 ' CG ' ' HD3' ' A' ' 34' ' ' ARG . 15.8 p90 -169.09 178.21 4.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.915 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 1.3 pp -119.68 140.12 44.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.056 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 10.1 p -163.27 161.2 18.28 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.943 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_exo -51.74 167.96 0.38 Allowed 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.566 2.178 . . . . 0.0 112.233 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -60.94 123.39 12.85 Favored 'Trans proline' 0 C--N 1.345 0.395 0 C-N-CA 122.534 2.156 . . . . 0.0 112.215 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.82 88.77 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -165.86 -42.91 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -71.27 135.11 23.6 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.503 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -141.18 134.71 29.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.814 0.34 . . . . 0.0 110.866 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -101.92 140.77 35.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.827 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -159.64 176.31 12.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.159 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 51.1 m -99.91 157.51 16.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.2 m -56.85 -28.35 28.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.298 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 29.9 p -62.04 -30.75 71.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.958 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -106.49 27.85 8.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.067 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 37.0 mt -148.82 139.01 16.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.977 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.23 177.3 4.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.5 mtmt -94.63 44.58 1.11 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.978 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 179.987 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 74.0 mmm . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.752 0.311 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 62.3 mt -58.05 -31.61 67.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.58 -31.59 47.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.88 -46.04 15.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.158 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 47.9 mt -61.04 -63.36 1.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.955 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 128.73 42.24 0.25 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.508 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.2 tp -154.94 149.19 26.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.836 0.35 . . . . 0.0 110.835 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.8 mtt-85 -115.61 167.68 10.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.835 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.55 148.54 38.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.04 -33.7 6.36 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.582 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.43 167.12 22.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.863 0.364 . . . . 0.0 110.799 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.4 mtt-85 -85.96 158.39 19.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.941 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 23.2 m -134.59 156.37 40.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.138 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.6 tp -99.3 116.49 31.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 25.5 mt -102.43 121.74 42.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 59.68 25.4 14.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.034 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 55.58 50.43 60.48 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.701 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.85 -70.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.841 0.353 . . . . 0.0 110.962 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.4 135.12 55.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.69 144.83 25.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -142.41 167.68 26.06 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.519 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.87 123.24 45.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.83 0.348 . . . . 0.0 110.868 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.6 tp -64.27 137.32 57.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.2 mmp_? -131.41 -46.08 0.99 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.447 ' CD1' ' N ' ' A' ' 36' ' ' CYS . 47.8 t80 -139.71 156.81 46.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.447 ' N ' ' CD1' ' A' ' 35' ' ' PHE . 49.6 t -148.87 149.02 30.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 116.89 -145.37 18.69 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.467 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 58.8 p -80.92 -178.76 7.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.788 0.327 . . . . 0.0 110.943 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -138.86 -177.91 5.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -98.56 -32.33 11.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.909 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 9.1 p90 -106.66 28.06 8.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.968 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -166.57 158.15 13.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.092 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 28.8 t -126.29 119.88 28.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 137.37 -131.29 5.47 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.462 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -111.38 122.3 47.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.808 0.337 . . . . 0.0 110.917 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 91.4 m95 -145.99 149.86 34.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.3 m -142.69 146.86 21.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.162 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -94.14 119.68 6.11 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.53 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.4 t -121.75 141.9 40.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.908 0.385 . . . . 0.0 111.119 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -105.23 112.42 25.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 37.1 mt -63.98 131.2 46.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.021 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -70.64 -33.16 70.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.826 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.49 154.7 79.03 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -67.48 66.51 0.76 Allowed 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.54 2.16 . . . . 0.0 112.254 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -157.24 146.8 20.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 179.23 -149.42 8.76 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.497 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.81 -46.23 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.823 0.344 . . . . 0.0 110.948 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -104.1 158.85 16.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.948 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -101.67 24.96 9.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 95.43 -32.93 5.81 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.675 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 t -112.39 139.09 48.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.806 0.336 . . . . 0.0 111.003 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.9 t -152.26 142.37 15.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 58.86 23.85 56.91 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.623 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 95.67 -32.27 6.44 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.527 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.5 t -80.4 138.66 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.846 0.355 . . . . 0.0 111.152 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.4 ttt85 -111.6 118.98 37.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -88.5 -33.65 17.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.906 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 32.2 p90 -175.96 -179.25 1.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.904 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.2 pt -119.05 135.06 60.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.072 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 30.8 p -161.05 160.74 24.65 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_exo -51.26 167.62 0.33 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.531 2.154 . . . . 0.0 112.295 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -60.37 125.05 16.42 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.601 2.2 . . . . 0.0 112.156 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.3 mtmm 61.82 88.91 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.797 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -166.59 -42.53 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.986 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.3 111.82 4.26 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.528 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.38 141.05 52.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.845 0.355 . . . . 0.0 110.907 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -104.81 137.21 42.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -146.59 166.55 26.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.64 149.51 26.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 17.8 m -57.45 -37.64 58.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.246 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.4 t -65.02 -24.94 67.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.093 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -97.14 27.56 4.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.157 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.488 HD13 HG22 ' A' ' 83' ' ' ILE . 34.2 mt -149.96 143.12 17.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.105 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.3 m -119.35 179.67 4.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.05 122.22 32.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.971 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.076 -179.963 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 7.4 mmt . . . . . 0 CA--C 1.527 0.068 0 CA-C-O 120.742 0.306 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.4 mt -57.85 -35.27 70.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.969 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 97.1 p -66.71 -32.25 73.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.931 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.53 -31.36 47.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.055 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.4 mt -84.19 -49.88 8.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.861 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.89 39.79 2.26 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.468 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.9 tp -132.49 166.24 22.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.768 0.318 . . . . 0.0 110.877 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.9 mtt180 -125.15 156.95 37.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 94.5 mt -64.79 106.1 1.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 144.49 -27.98 1.94 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.596 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -72.45 173.28 9.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.915 0.388 . . . . 0.0 110.853 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.52 155.11 17.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 26.2 m -140.34 156.76 24.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.101 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.4 tp -96.09 119.2 34.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.88 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 33.3 mt -102.21 118.91 37.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 t70 60.59 26.84 16.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 55.62 26.97 47.61 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.522 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -144.35 -71.43 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.841 0.353 . . . . 0.0 110.837 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.7 171.0 5.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.7 p -140.87 143.12 34.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -149.96 177.25 28.21 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.484 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.7 m -111.3 132.89 54.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.789 0.328 . . . . 0.0 110.838 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 19.7 tp -71.89 131.15 42.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 -125.33 -44.4 1.87 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.4 ' CD2' ' N ' ' A' ' 36' ' ' CYS . 70.0 t80 -122.27 162.12 22.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.939 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.4 ' N ' ' CD2' ' A' ' 35' ' ' PHE . 2.4 t -157.7 136.18 11.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 128.41 -154.42 19.98 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.521 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.9 t -65.96 -171.17 0.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.823 0.344 . . . . 0.0 110.961 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -145.26 -177.25 5.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.9 -31.54 17.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -105.61 31.14 5.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -175.66 160.5 2.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 96.8 p -110.01 -30.6 7.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.32 -163.57 0.1 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.525 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -87.89 136.69 32.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.836 0.35 . . . . 0.0 110.882 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 49.2 m95 -143.52 168.43 19.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 30.9 m -151.1 138.28 13.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.061 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -96.47 121.16 6.89 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.549 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.0 t -127.03 145.86 33.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.883 0.373 . . . . 0.0 111.047 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -101.86 111.58 23.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.7 mt -63.87 123.72 19.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -60.83 -31.42 70.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.95 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -83.39 160.26 59.9 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.1 62.67 2.56 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.624 2.216 . . . . 0.0 112.313 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -156.74 157.16 34.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 153.13 -33.53 0.79 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.534 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.23 34.36 20.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.804 0.335 . . . . 0.0 110.913 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -155.01 143.42 20.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -108.78 34.4 3.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.51 28.41 71.21 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.555 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.9 t -152.45 149.09 28.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.856 0.36 . . . . 0.0 110.909 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.5 t -150.41 118.35 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.094 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 63.04 -121.34 24.44 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.454 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -103.49 29.58 12.01 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.546 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.5 t -133.77 152.21 34.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.856 0.36 . . . . 0.0 111.104 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.7 ttm-85 -126.33 153.09 45.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -127.32 -45.14 1.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 23.6 p90 -171.45 165.22 7.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 23.2 pt -105.28 129.76 57.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.062 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 25.8 p -152.06 161.25 29.96 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_exo -51.47 168.08 0.32 Allowed 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.533 2.156 . . . . 0.0 112.203 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -56.03 114.55 1.95 Allowed 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.568 2.179 . . . . 0.0 112.162 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 21.0 mttt 62.5 96.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -159.82 -45.5 0.05 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.9 162.02 39.58 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.51 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 15.1 tp -160.01 119.85 2.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.855 0.359 . . . . 0.0 110.827 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -99.49 133.15 44.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -156.4 179.98 8.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.05 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 25.0 m -87.28 152.62 22.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 10.3 m -59.76 -30.75 45.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.126 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.31 -30.86 69.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.951 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -97.99 27.48 4.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.01 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.448 HD13 HG23 ' A' ' 83' ' ' ILE . 22.4 mt -150.5 146.86 16.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.034 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 68.3 m -124.08 179.42 4.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -96.82 41.37 1.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.83 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.087 179.953 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.818 0.342 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.4 mt -59.76 -33.49 71.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.762 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.4 t -76.05 -38.15 57.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.97 -31.01 70.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.182 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mt -93.43 -61.54 1.54 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 123.62 40.16 0.47 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.433 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.6 tp -138.77 158.97 43.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.882 0.372 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -128.7 159.11 36.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 50.6 mt -62.84 149.42 44.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.65 -30.86 8.54 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.462 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -74.99 154.96 37.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.784 0.326 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -86.64 156.84 19.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.739 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.4 m -141.15 178.83 2.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.102 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.5 tp -119.65 117.25 27.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.932 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.1 mt -98.17 131.3 44.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.824 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 59.72 25.5 14.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.036 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 54.97 41.72 78.07 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.579 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -164.99 -68.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.864 0.364 . . . . 0.0 110.919 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.43 144.77 56.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 43.8 p -112.52 138.68 48.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -146.12 -178.44 21.56 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.507 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 64.7 m -123.91 126.06 45.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.812 0.339 . . . . 0.0 110.874 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.0 tp -67.9 114.77 6.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.409 ' HB3' ' CD1' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -105.19 -36.51 7.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -135.28 160.16 39.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.805 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 24.4 t -159.66 147.52 17.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.942 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 119.79 -168.26 13.61 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.484 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.0 t -71.37 -171.27 0.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.838 0.352 . . . . 0.0 110.882 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 21.4 p -135.57 175.92 9.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -109.41 28.24 8.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 19.6 p90 -161.33 29.07 0.13 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.964 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -177.76 137.17 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.084 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.4 m -91.18 84.27 5.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.845 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -176.79 -163.89 29.79 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.529 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -109.4 136.5 48.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.858 0.361 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 81.7 m95 -143.35 162.52 35.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.961 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 5.4 m -151.21 128.59 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -85.02 125.05 7.02 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.52 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.3 t -133.32 133.03 58.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.894 0.378 . . . . 0.0 111.131 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -81.35 132.46 35.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.802 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 92.3 mt -84.27 123.19 29.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.972 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -58.01 -49.01 78.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.937 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -84.01 161.43 55.31 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.815 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -68.44 78.47 0.65 Allowed 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.481 2.121 . . . . 0.0 112.283 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -142.02 165.36 27.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.809 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 109.59 -172.77 16.31 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.546 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -153.9 32.03 0.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.851 0.357 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 53.7 m-80 -151.63 141.84 22.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -101.48 31.47 3.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 85.78 28.69 28.44 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.512 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 73.9 p -149.75 117.77 6.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.85 0.357 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.7 t -119.93 122.88 69.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.142 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 59.71 -124.75 37.22 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.448 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -105.76 32.2 7.65 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.472 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.5 t -141.99 121.81 10.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.81 0.338 . . . . 0.0 111.106 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.0 ttp-105 -100.04 141.13 33.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -113.9 -43.89 3.22 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.981 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.409 ' CD1' ' HB3' ' A' ' 34' ' ' ARG . 49.8 p90 -165.47 -176.47 3.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.976 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 26.3 mt -120.02 154.09 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.138 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 4.9 p -171.11 157.88 5.02 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo -57.63 171.92 1.26 Allowed 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.657 2.238 . . . . 0.0 112.311 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_exo -51.95 119.02 5.08 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.589 2.192 . . . . 0.0 112.485 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt 58.26 76.18 0.35 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.076 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -157.17 26.2 0.31 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.072 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -144.59 116.48 0.95 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.477 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.0 tp -123.68 144.79 49.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.935 0.398 . . . . 0.0 110.82 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -121.71 126.62 49.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -150.69 -179.97 7.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.142 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 m -85.96 158.38 19.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 10.3 m -61.61 -30.84 49.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.087 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 29.5 t -61.11 -27.82 68.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.981 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.9 mttp -97.75 30.32 3.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.019 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.437 HG21 HD12 ' A' ' 83' ' ' ILE . 24.2 mt -149.88 148.65 15.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.034 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 84.2 p -134.56 146.82 50.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.23 131.44 50.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.926 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.095 -179.964 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 8.3 tpt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.859 0.362 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.7 mt -70.85 -28.67 64.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.972 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.6 p -56.93 -30.31 63.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.86 -30.94 26.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.121 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 37.4 mt -72.36 -53.92 10.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 116.62 33.64 1.4 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.528 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 tp -143.99 148.33 35.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.837 0.351 . . . . 0.0 110.932 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -99.16 172.66 7.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.3 mt -82.72 145.93 29.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.59 -29.37 10.48 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.481 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -69.31 150.89 46.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.762 0.315 . . . . 0.0 110.966 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.8 149.46 41.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.9 m -134.27 167.31 26.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.131 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.7 tp -107.95 100.87 10.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 35.6 mt -75.41 126.26 30.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 59.9 23.48 12.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.126 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 54.44 51.71 49.72 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.719 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -176.21 -49.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.884 0.373 . . . . 0.0 110.939 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -82.0 143.13 31.8 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 40.6 p -99.26 118.49 36.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.944 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -130.17 138.74 10.42 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.43 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 63.1 m -88.49 116.39 26.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.801 0.334 . . . . 0.0 110.964 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.1 tp -75.04 147.05 41.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.801 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -135.84 -46.62 0.66 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.992 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -121.85 155.49 35.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 30.6 p -148.77 134.69 19.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.84 -132.59 6.09 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.497 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.2 t -108.69 172.59 6.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.829 0.347 . . . . 0.0 110.845 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.1 p -111.19 179.22 4.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -103.23 -29.62 11.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.03 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.416 ' CD2' HG12 ' A' ' 62' ' ' VAL . 25.5 p90 -86.81 -29.69 22.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.958 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -129.69 -169.73 2.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.043 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.5 -178.86 5.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 86.63 -170.17 41.88 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.514 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -77.67 123.49 26.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.861 0.362 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 88.8 m95 -147.9 151.34 35.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.6 m -150.02 148.18 15.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.153 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -93.72 124.44 7.84 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.509 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.5 t -133.17 144.38 36.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.855 0.36 . . . . 0.0 111.114 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -104.85 118.37 36.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 84.7 mt -66.9 130.73 44.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.857 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -64.01 -40.28 96.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -79.24 160.97 69.57 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.57 64.19 2.27 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.551 2.167 . . . . 0.0 112.261 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -146.46 159.57 43.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 156.76 -165.25 33.01 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.472 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -154.9 30.4 0.41 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.806 0.336 . . . . 0.0 110.883 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -173.89 159.69 3.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -108.33 31.19 5.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 73.27 33.14 59.34 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.535 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.0 m -158.95 148.52 18.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.816 0.341 . . . . 0.0 110.913 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.416 HG12 ' CD2' ' A' ' 41' ' ' PHE . 21.5 t -141.69 107.08 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.185 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 59.6 -114.12 5.94 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.542 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -100.42 28.25 16.69 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.575 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.5 t -135.43 149.66 28.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.857 0.36 . . . . 0.0 111.07 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.25 131.28 27.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -102.84 -31.86 10.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 19.6 p90 -170.29 170.16 7.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.8 mt -109.37 115.64 50.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 30.7 p -141.39 160.97 55.16 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.974 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.34 168.7 0.9 Allowed 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.628 2.218 . . . . 0.0 112.225 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -62.54 119.84 7.11 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.54 2.16 . . . . 0.0 112.231 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.9 mtmt 62.14 88.03 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -160.85 -44.01 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -81.08 148.58 28.57 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.535 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.3 tp -143.9 149.19 36.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.815 0.341 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -109.19 126.87 53.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.839 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -139.56 167.68 21.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.075 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.7 m -81.08 147.54 30.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 7.3 m -59.0 -29.86 42.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.166 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.02 -29.45 70.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.001 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.4 mmpt? -98.58 31.73 2.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 35.7 mt -146.57 154.04 12.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.068 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.99 166.67 22.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.05 126.18 30.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.901 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 44.0 mmm . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.749 0.309 . . . . 0.0 111.073 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.0 mt -56.31 -34.18 66.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.026 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 m -68.96 -31.37 70.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.86 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.53 -39.42 58.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.094 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mt -75.48 -57.4 3.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 119.6 38.09 0.74 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.489 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.8 tp -132.74 154.4 50.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.795 0.331 . . . . 0.0 110.867 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.4 mtm-85 -109.24 168.95 9.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.951 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.4 mt -73.15 149.22 43.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.16 -37.44 3.48 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.515 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.6 167.45 5.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.839 0.352 . . . . 0.0 110.866 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.7 mtm-85 -87.84 163.98 16.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.4 m -142.31 149.09 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.172 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.1 tp -94.56 108.54 20.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.2 mt -88.79 123.4 33.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.941 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 59.41 24.58 13.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.062 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 54.49 26.95 39.74 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.729 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -146.16 -52.92 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.817 0.341 . . . . 0.0 110.932 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.37 166.53 23.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.953 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.5 p -135.9 129.68 32.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.936 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -141.92 162.79 27.07 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.507 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.9 m -101.76 140.57 35.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 0.0 110.879 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.4 tp -83.49 147.71 27.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.424 ' HD3' ' CG ' ' A' ' 68' ' ' PHE . 3.3 mtp85 -142.55 -54.49 0.42 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.87 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -117.11 152.75 34.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.6 m -154.87 149.21 26.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 118.49 -142.25 16.76 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.55 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.1 p -91.11 166.04 13.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 111.015 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.424 ' HB ' ' CE2' ' A' ' 41' ' ' PHE . 11.7 p -109.35 170.83 7.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -107.52 46.55 0.93 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PHE . . . . . 0.429 ' CD1' ' N ' ' A' ' 42' ' ' ALA . 25.9 p90 -167.67 -42.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.994 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.429 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . -105.78 -31.99 8.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.082 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.0 m 60.43 98.13 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 169.32 178.92 40.92 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.444 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.6 mp0 -60.28 99.93 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.81 0.338 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 99.2 m95 -137.63 153.14 49.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 18.2 m -147.48 136.53 15.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.121 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -86.15 116.95 4.49 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.464 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.5 t -123.74 130.49 73.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.86 0.362 . . . . 0.0 111.159 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -93.95 120.68 34.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 56.6 mt -75.45 132.52 40.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.47 -51.65 64.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -81.9 148.82 61.94 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -52.98 89.3 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.509 2.14 . . . . 0.0 112.326 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -157.36 130.31 7.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 157.21 172.39 24.37 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.444 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.7 mtmm -131.58 29.57 4.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.867 0.365 . . . . 0.0 110.953 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -152.63 174.84 13.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -128.08 24.02 6.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.045 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 95.39 -29.13 10.01 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.617 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.8 m -117.65 135.92 53.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.759 0.314 . . . . 0.0 110.966 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 30.4 t -128.35 122.48 57.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.059 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 65.79 -102.24 0.68 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.46 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -127.41 28.08 4.59 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.498 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.4 t -133.46 132.05 57.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.84 0.352 . . . . 0.0 111.128 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 -105.24 123.21 47.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -99.78 -37.81 8.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.821 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.424 ' CG ' ' HD3' ' A' ' 34' ' ' ARG . 13.3 p90 -174.59 170.58 3.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 29.4 mt -110.59 115.65 50.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.084 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 31.5 p -142.66 160.36 53.96 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.948 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.78 169.09 0.9 Allowed 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.527 2.152 . . . . 0.0 112.108 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_endo -61.06 125.73 17.77 Favored 'Trans proline' 0 C--N 1.343 0.261 0 C-N-CA 122.549 2.166 . . . . 0.0 112.172 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.1 mttp 60.59 87.6 0.09 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -162.94 -43.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -67.86 131.55 28.52 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.485 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.5 tp -138.75 123.34 18.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.927 0.394 . . . . 0.0 110.928 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -104.31 102.35 12.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -118.98 179.32 4.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.01 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.8 m -88.41 155.27 19.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 10.6 m -59.76 -36.36 65.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.021 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.96 -25.44 66.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.083 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.6 mmmt -96.94 32.98 1.99 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.009 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.441 HD11 HG21 ' A' ' 83' ' ' ILE . 25.8 mt -148.22 155.33 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.111 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.5 t -133.02 159.57 39.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -67.44 132.5 47.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.162 179.988 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.194 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.2 t 60.38 91.85 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.886 0.374 . . . . 0.0 110.941 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 p -157.6 172.06 19.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.04 84.1 0.17 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.511 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -119.33 116.66 26.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.864 0.364 . . . . 0.0 110.844 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.4 m -113.76 -37.68 4.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.982 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.9 103.4 0.71 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.528 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 126.74 43.98 0.25 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.486 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 26.0 m-20 -103.93 34.28 3.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.727 0.299 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 tp -100.14 -28.35 13.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.008 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.19 -60.3 2.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.074 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.3 mt -58.71 -40.11 82.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.051 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 60.5 p -58.46 -38.6 77.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.974 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.59 -33.0 62.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.9 mt -74.71 -49.08 22.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.919 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 119.14 37.06 0.83 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.468 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 13.0 tp -137.58 159.63 41.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.786 0.327 . . . . 0.0 110.933 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.2 mtm180 -129.81 174.47 9.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 96.2 mt -76.64 152.42 35.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.72 -38.52 3.09 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.517 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -66.8 160.86 25.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.792 0.329 . . . . 0.0 110.857 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -99.45 157.74 16.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.2 m -136.12 164.57 31.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.9 tp -96.98 114.43 26.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.811 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 80.9 mt -87.07 116.42 25.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 60.79 27.45 17.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.98 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 57.44 30.91 62.35 Favored Glycine 0 C--N 1.331 0.263 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.485 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -146.57 -69.68 0.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.83 0.348 . . . . 0.0 110.861 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.2 163.96 21.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 62.9 p -133.57 137.34 45.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.893 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -145.57 169.38 27.12 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.507 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.5 m -104.51 131.79 51.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.808 0.337 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.5 tp -71.73 140.55 49.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -139.77 -47.96 0.46 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.838 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -110.79 150.47 29.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.835 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 30.4 p -158.74 121.18 3.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 144.25 -140.68 9.54 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 29.4 p -87.9 -177.2 5.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.817 0.341 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -134.83 170.45 15.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -107.0 -45.55 4.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.926 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -72.48 -26.82 61.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.989 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -126.27 -168.7 1.9 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.972 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 38.6 p -129.72 176.42 8.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 81.53 -148.59 27.93 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.528 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -115.46 127.39 55.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.831 0.348 . . . . 0.0 110.923 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 57.7 m95 -134.59 175.28 9.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 29.6 m -152.44 141.63 14.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.18 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -94.74 122.15 7.06 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.458 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.4 t -125.19 135.65 63.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.792 0.33 . . . . 0.0 111.222 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -95.72 126.76 41.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 79.5 mt -71.87 124.11 24.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.946 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -65.25 -58.1 6.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.0 164.78 9.57 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.98 72.4 1.55 Allowed 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.53 2.153 . . . . 0.0 112.278 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -154.06 169.67 22.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 149.6 -169.94 29.8 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.565 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.3 ttmm -139.59 -58.88 0.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.772 0.32 . . . . 0.0 110.936 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -101.54 158.37 16.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.942 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.06 39.57 1.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 61.6 28.33 69.58 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.465 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -144.48 119.59 10.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.776 0.322 . . . . 0.0 110.918 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.5 t -124.67 110.76 25.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.104 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 59.49 -118.78 15.48 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.509 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -100.77 26.19 25.55 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.531 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.407 HG11 ' CE1' ' A' ' 67' ' ' TYR . 30.3 t -128.57 133.01 67.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.886 0.374 . . . . 0.0 111.055 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -115.74 135.43 54.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.407 ' CE1' HG11 ' A' ' 65' ' ' VAL . 20.0 m-85 -113.36 -38.32 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 24.0 p90 -177.13 150.71 0.76 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.5 mp -98.79 99.11 8.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.108 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 30.8 p -113.54 160.32 32.14 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.17 178.4 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.636 2.224 . . . . 0.0 112.329 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.26 105.9 0.13 Allowed 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.652 2.235 . . . . 0.0 112.337 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? 59.44 85.96 0.1 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.981 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -152.08 27.31 0.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -139.73 133.97 6.37 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.51 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.3 tt -140.05 133.06 29.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.815 0.34 . . . . 0.0 110.944 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -103.4 136.73 42.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -154.63 166.02 34.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.058 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -78.48 146.9 34.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.922 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 17.9 m -58.28 -30.56 40.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.133 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.2 t -63.62 -28.99 70.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -98.09 30.68 2.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.973 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 37.9 mt -139.92 152.64 22.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.049 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.2 m -129.32 156.97 43.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.951 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -80.46 111.85 17.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.903 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -83.95 -177.84 6.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.077 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.6 t 64.06 133.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.113 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 60.48 92.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.852 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -112.15 30.23 7.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.107 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 22.7 t -118.29 115.13 24.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.816 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 173.24 -138.84 4.84 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.491 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -50.15 133.88 36.15 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.495 2.13 . . . . 0.0 112.407 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 33.7 t -165.2 146.02 7.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 m -152.09 -47.19 0.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.973 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.315 -1.269 . . . . 0.0 112.509 -179.982 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.168 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.8 m -126.39 -46.09 1.64 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.808 0.337 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -102.18 -68.39 0.83 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.79 -68.8 3.48 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.501 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -111.62 134.73 52.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.857 0.36 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.0 m -94.29 132.81 38.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.93 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.32 -86.08 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.487 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -66.34 -99.75 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.529 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -153.24 174.73 13.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.855 0.36 . . . . 0.0 110.942 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 tp -81.9 -32.54 30.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.29 -43.53 11.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.9 mt -59.79 -31.43 69.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.3 p -68.16 -37.53 81.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.937 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.68 -33.68 74.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 29.3 mt -87.94 -34.27 18.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.14 41.69 17.24 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.509 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.8 tp -124.99 155.21 40.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.782 0.325 . . . . 0.0 110.902 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.3 mtt-85 -114.05 150.12 34.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 19.3 mt -60.27 148.84 35.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.36 -36.57 4.32 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.452 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -69.46 152.01 45.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.838 0.351 . . . . 0.0 110.885 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.1 mpp_? -79.94 162.54 24.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.3 m -147.42 148.31 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.16 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.9 tp -84.81 119.27 25.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 17.2 mt -102.54 126.37 49.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.2 t0 59.26 22.68 11.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.1 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 54.03 52.93 40.06 Favored Glycine 0 CA--C 1.518 0.277 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.689 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -176.75 -47.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.78 0.324 . . . . 0.0 110.96 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -82.27 160.2 22.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 47.4 p -128.23 123.95 35.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.89 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -135.41 179.07 18.1 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.51 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.9 m -115.61 144.63 43.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.822 0.344 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.3 tp -80.03 120.52 24.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.411 ' HD3' ' CG ' ' A' ' 68' ' ' PHE . 4.6 mtp180 -118.45 -45.28 2.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.02 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -128.34 146.18 50.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 62.3 m -151.21 123.04 8.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.969 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 158.02 -134.22 3.8 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.516 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.0 p -117.66 -175.86 2.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.865 0.364 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.415 HG23 ' CZ ' ' A' ' 41' ' ' PHE . 16.9 p -119.68 178.83 4.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.948 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -113.11 -36.31 5.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.415 ' CZ ' HG23 ' A' ' 39' ' ' THR . 26.3 p90 -72.24 -30.33 64.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -134.79 173.38 11.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.078 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 83.1 p -112.4 138.77 48.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.959 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 141.7 -166.18 26.28 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.478 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -112.73 121.35 44.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.824 0.345 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 37.0 m95 -131.68 164.85 25.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.7 m -148.36 131.59 7.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.164 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -86.93 122.35 6.11 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.452 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 29.2 t -127.4 130.68 70.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.797 0.332 . . . . 0.0 111.12 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -88.31 121.05 30.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 16.4 mt -71.59 139.13 49.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.92 -67.73 0.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.97 164.07 61.75 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.836 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -66.94 80.22 0.36 Allowed 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.52 2.147 . . . . 0.0 112.289 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -144.58 161.94 37.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 127.55 -154.5 19.64 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.545 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.73 -46.88 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.804 0.335 . . . . 0.0 110.893 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 75.4 m-80 -90.58 150.87 21.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.948 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -98.75 35.78 1.79 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 84.44 28.57 32.61 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.544 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.03 158.11 43.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.794 0.33 . . . . 0.0 110.87 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.5 t -144.85 101.66 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.174 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 65.44 -102.7 0.7 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.478 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -117.99 28.82 6.8 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.505 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.5 t -135.75 116.61 18.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.765 0.317 . . . . 0.0 111.098 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -101.36 140.63 35.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.411 ' CD1' ' N ' ' A' ' 67' ' ' TYR . 4.9 m-85 -118.05 -40.79 2.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.411 ' CG ' ' HD3' ' A' ' 34' ' ' ARG . 25.8 p90 -158.12 -178.74 7.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.947 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.9 mp -131.43 118.4 39.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.055 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 31.8 p -131.03 160.54 66.39 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.946 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_exo -52.0 177.89 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.491 2.127 . . . . 0.0 112.356 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.36 107.18 0.17 Allowed 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.534 2.156 . . . . 0.0 112.353 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.6 mtmt 59.74 86.48 0.09 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.005 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -158.08 29.97 0.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -144.94 140.93 9.5 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.431 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.0 tp -148.41 129.67 14.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.811 0.339 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -101.15 116.04 31.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -132.17 177.21 7.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.188 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.73 148.55 27.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 17.0 m -60.22 -28.95 42.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.234 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.1 t -64.02 -29.23 70.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.947 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 16.5 mttm -97.84 28.84 3.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.046 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 24.6 mt -148.94 146.16 17.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.102 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -134.77 175.51 9.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.51 132.39 41.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -103.88 -174.27 2.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.11 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.8 t 66.04 47.19 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 61.3 172.89 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -114.47 162.87 16.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.072 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -74.22 158.51 33.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.964 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -130.97 -150.09 6.68 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.493 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -69.16 127.85 15.68 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.56 2.173 . . . . 0.0 112.314 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.9 t -61.06 162.85 6.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.75 34.82 1.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.393 -1.226 . . . . 0.0 112.552 -179.966 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.11 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m -147.92 31.39 0.86 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.84 0.352 . . . . 0.0 110.896 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.22 -179.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.967 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.14 123.43 1.26 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.449 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -132.73 173.98 10.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.781 0.324 . . . . 0.0 110.92 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.33 -66.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.12 -78.09 1.4 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.449 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -178.07 -38.5 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.487 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 74.8 m-80 -69.46 73.02 0.34 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.839 0.352 . . . . 0.0 110.865 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.43 -56.41 4.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 6.2 mtm -80.31 -35.25 35.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 32.9 mt -61.07 -37.66 83.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 78.9 p -61.75 -41.15 97.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.939 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.54 -39.41 52.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.051 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 31.1 mt -68.23 -55.45 12.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 109.65 34.32 2.47 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.486 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 tp -139.67 162.62 34.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.826 0.346 . . . . 0.0 110.942 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.74 164.14 13.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.821 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 16.3 mt -65.91 151.65 46.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.26 -37.5 3.43 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.537 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.33 151.28 28.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.871 0.367 . . . . 0.0 110.802 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.2 mtm-85 -86.91 153.37 21.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 13.3 m -137.45 174.44 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.047 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.0 tp -112.94 110.01 19.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 35.3 mt -83.07 128.85 34.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 60.0 26.47 15.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.015 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 55.95 31.28 58.39 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.556 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -153.94 -67.27 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.831 0.348 . . . . 0.0 110.96 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.01 159.48 9.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.945 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -119.72 133.38 55.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.848 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -145.45 157.57 27.39 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.559 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.3 m -107.8 128.93 55.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.893 0.378 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 19.4 tp -72.87 143.87 47.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.408 ' HD3' ' CG ' ' A' ' 68' ' ' PHE . 10.3 mtp180 -136.46 -48.05 0.64 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.44 ' CD1' ' N ' ' A' ' 36' ' ' CYS . 61.8 t80 -121.88 161.04 23.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.952 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.44 ' N ' ' CD1' ' A' ' 35' ' ' PHE . 29.8 p -154.42 132.71 11.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.978 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 142.44 -158.12 26.83 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.476 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.0 p -89.23 158.46 17.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.838 0.352 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 73.2 p -113.17 174.51 5.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.822 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -83.19 -49.21 9.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.95 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 17.3 p90 -62.95 -31.59 72.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -136.98 139.15 41.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.073 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 37.2 m -104.48 105.24 15.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 170.63 -146.78 10.0 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.523 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.04 114.43 25.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.866 0.365 . . . . 0.0 110.856 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 87.0 m95 -144.01 142.5 30.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 16.0 m -139.56 128.98 29.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.173 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -77.87 128.3 8.76 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.439 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 18.9 t -137.78 134.21 45.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.884 0.374 . . . . 0.0 111.149 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -93.21 116.67 29.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 19.1 mt -65.3 140.71 58.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.35 -44.17 65.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.75 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -68.07 159.76 78.18 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.811 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.88 61.4 2.34 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.599 2.199 . . . . 0.0 112.349 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -142.55 148.88 38.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.811 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 171.76 -168.88 42.01 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.637 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.9 mttp -149.09 -45.9 0.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.771 0.319 . . . . 0.0 110.935 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 62.2 m-20 -98.41 147.32 24.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.963 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -103.03 30.56 4.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 97.06 -29.88 9.95 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.516 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 21.5 m -109.04 126.61 53.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.806 0.336 . . . . 0.0 110.964 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.7 t -134.8 125.25 45.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.069 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 59.0 25.86 60.15 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.557 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.02 -33.08 5.81 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.545 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.5 t -70.78 127.42 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.851 0.358 . . . . 0.0 111.172 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -93.32 146.5 23.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -131.69 -46.48 0.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.408 ' CG ' ' HD3' ' A' ' 34' ' ' ARG . 11.7 p90 -161.88 -177.55 5.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.7 mp -129.57 108.38 16.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 30.5 p -128.83 160.3 63.93 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.3 168.99 0.34 Allowed 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.554 2.169 . . . . 0.0 112.242 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.18 117.66 3.82 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.584 2.19 . . . . 0.0 112.305 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.6 mtpt 60.23 105.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.835 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -177.86 -38.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.97 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -69.97 116.97 7.13 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.458 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 9.5 tt -133.07 127.05 33.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.817 0.341 . . . . 0.0 110.924 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -95.67 128.57 42.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.903 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -138.97 151.51 46.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.044 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 58.6 m -67.52 145.8 54.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 22.2 m -57.71 -29.31 34.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.209 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.1 m -59.55 -30.39 68.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.998 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 6.8 mttp -103.0 36.79 2.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.948 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 37.0 mt -147.36 137.71 17.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.108 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.71 135.4 52.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.85 128.34 36.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.56 -178.27 0.67 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.162 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 14.0 p -58.66 137.2 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.211 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -89.04 117.35 27.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -100.16 -69.44 0.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.015 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.04 133.94 45.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 142.8 -87.92 0.18 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.489 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.12 169.58 0.28 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.628 2.219 . . . . 0.0 112.317 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 67.9 p -171.2 -44.53 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.963 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 24.7 m -78.81 159.56 27.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.383 -1.231 . . . . 0.0 112.491 179.964 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.236 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t -98.87 31.61 2.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.832 0.348 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -137.91 31.39 2.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.27 -118.48 0.83 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.533 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.2 t -140.83 88.21 2.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.829 0.347 . . . . 0.0 110.853 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m 61.24 155.19 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.959 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.45 -68.19 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.484 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -72.37 -53.94 8.29 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.505 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -96.01 81.59 3.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 110.94 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -86.32 -63.77 1.26 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.93 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 5.6 mmt -82.86 -30.17 28.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.958 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 49.5 mt -58.8 -45.32 90.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.942 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.5 t -63.65 -47.16 82.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.68 -33.4 72.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.17 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 22.3 mt -77.01 -42.06 40.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.95 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.04 43.34 2.24 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.471 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.0 tp -137.45 156.49 48.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.897 0.379 . . . . 0.0 110.925 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -119.96 156.9 29.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.756 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 44.9 mt -77.91 130.19 36.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 115.54 -32.0 5.91 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.527 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -72.1 153.75 41.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.84 0.353 . . . . 0.0 110.931 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.58 173.42 2.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.5 m -153.98 142.5 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.164 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 35.1 tp -91.55 114.93 27.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.839 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.8 mt -104.6 117.4 34.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.984 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 58.49 26.45 14.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.15 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 55.45 24.33 38.02 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.63 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -146.26 -59.55 0.31 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.838 0.352 . . . . 0.0 110.848 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.73 123.69 23.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -103.06 118.75 37.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -129.07 -169.62 12.61 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.529 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -130.86 126.09 35.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.801 0.334 . . . . 0.0 110.91 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 28.3 tp -62.36 138.87 58.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -132.46 -46.6 0.9 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -129.97 159.4 36.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.4 t -156.62 145.97 20.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 125.36 -135.53 9.34 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.496 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -100.18 173.2 6.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.843 0.354 . . . . 0.0 110.861 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.416 HG23 ' CZ ' ' A' ' 41' ' ' PHE . 0.5 OUTLIER -132.3 -178.17 4.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -109.0 -33.86 6.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.416 ' CZ ' HG23 ' A' ' 39' ' ' THR . 14.7 p90 -85.43 -29.64 24.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.022 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -123.05 119.79 31.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.062 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.76 108.3 10.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 150.59 -161.46 28.99 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.543 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -96.29 127.21 42.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.875 0.369 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 68.5 m95 -145.57 161.89 38.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.968 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 3.8 m -141.62 130.09 22.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.095 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -77.77 121.49 5.79 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.41 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.5 t -128.94 146.25 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.852 0.358 . . . . 0.0 111.11 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -103.45 132.4 49.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.869 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 82.9 mt -79.71 114.71 18.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.948 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -60.29 -36.64 78.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -75.41 160.37 79.87 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.47 63.53 1.63 Allowed 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.557 2.171 . . . . 0.0 112.287 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -150.87 135.17 16.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.889 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 178.55 166.27 34.47 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.516 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.6 mttm -124.08 -55.25 1.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.849 0.357 . . . . 0.0 110.912 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -86.94 148.56 25.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.944 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -100.47 29.41 4.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 95.05 -38.31 3.16 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.547 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.6 p -95.57 133.01 40.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.784 0.326 . . . . 0.0 110.934 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.7 t -149.46 132.66 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.105 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 59.75 23.56 58.91 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.602 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 95.83 -31.17 7.49 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.604 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.8 t -78.84 151.74 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.807 0.337 . . . . 0.0 111.101 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -124.72 134.3 52.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -112.28 -37.87 4.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -163.83 178.63 7.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.912 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 19.4 mt -126.97 114.61 38.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 30.6 p -127.1 160.31 60.29 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.04 178.18 0.04 OUTLIER 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.695 2.263 . . . . 0.0 112.295 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.29 103.26 0.08 OUTLIER 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.652 2.235 . . . . 0.0 112.323 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.96 81.2 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -152.66 29.2 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.956 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -133.95 143.37 15.03 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.1 tp -153.51 139.64 18.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.824 0.345 . . . . 0.0 110.966 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -106.38 135.03 48.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.839 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -140.92 176.46 8.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.93 155.03 19.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 7.1 m -58.46 -31.44 43.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.257 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.2 -29.21 69.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -97.32 25.9 5.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.055 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 30.7 mt -149.79 155.67 7.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.117 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -150.25 174.48 12.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.77 118.02 14.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.86 102.65 2.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.5 t -106.09 109.56 28.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.083 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -134.28 175.37 9.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -80.53 153.21 28.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.036 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.8 p -159.09 114.88 2.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 101.5 74.85 1.09 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.504 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.26 -33.18 64.1 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.554 2.17 . . . . 0.0 112.331 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.62 67.55 1.02 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 57.5 m 59.19 31.1 20.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.085 0 CA-C-O 118.359 -1.245 . . . . 0.0 112.54 -179.967 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.195 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.7 p -104.66 160.34 15.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.767 0.318 . . . . 0.0 110.934 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.8 m -95.7 92.71 6.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.09 59.46 4.94 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.549 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.6 t -165.4 -44.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.738 0.304 . . . . 0.0 110.939 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.5 p -143.56 -173.38 3.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.51 153.72 20.33 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.508 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -78.61 171.8 55.16 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.505 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.8 m120 60.72 31.17 20.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.818 0.342 . . . . 0.0 110.937 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.1 tp -82.74 -32.0 28.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.918 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -94.04 -39.07 10.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.0 mt -59.77 -46.88 87.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.944 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 53.7 p -65.48 -31.82 73.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.04 -52.94 29.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.064 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 56.2 mt -74.88 -43.47 54.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 97.93 33.63 5.72 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.551 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.5 tp -109.78 144.19 38.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.797 0.332 . . . . 0.0 110.863 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.04 163.11 12.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.906 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 35.7 mt -85.93 111.19 20.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 132.24 -28.28 3.49 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.558 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -69.95 163.75 25.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.789 0.328 . . . . 0.0 110.93 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.4 161.93 17.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.3 m -145.5 169.0 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 8.4 tp -108.85 123.5 49.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.969 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 42.2 mt -98.86 126.19 44.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.829 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 62.19 26.86 16.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 56.95 27.3 56.66 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.639 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -151.17 -70.2 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.784 0.326 . . . . 0.0 110.851 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.92 153.82 20.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -114.72 145.56 41.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -155.85 159.52 29.35 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.461 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 m -100.58 134.43 43.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.759 0.314 . . . . 0.0 110.941 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.8 tp -72.15 141.71 49.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -130.04 -46.0 1.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -138.07 150.58 47.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.5 t -147.11 140.87 25.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 134.2 -131.44 5.96 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.561 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.3 p -110.9 136.13 50.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.824 0.345 . . . . 0.0 110.911 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.0 p -96.67 -179.89 4.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.821 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -100.12 -44.53 5.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 52.0 p90 -62.0 -31.44 71.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -135.51 152.22 51.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.142 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.64 122.56 46.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.946 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 138.91 -161.46 25.88 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.526 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -77.63 116.73 18.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.839 0.352 . . . . 0.0 110.947 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 92.3 m95 -142.76 146.49 34.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.8 m -143.51 136.99 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -87.8 115.67 4.4 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.489 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 25.8 t -120.69 146.29 25.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.833 0.349 . . . . 0.0 111.093 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -104.58 109.87 21.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 38.1 mt -60.01 133.32 55.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -59.48 -53.26 60.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.88 153.6 93.82 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.4 63.54 1.59 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.506 2.137 . . . . 0.0 112.264 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -147.34 149.61 33.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 167.39 -143.23 8.09 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.588 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -160.67 -46.31 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.717 0.294 . . . . 0.0 110.903 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -92.56 136.76 32.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.4 p-10 -99.5 31.34 3.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 80.12 28.4 49.59 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.493 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -155.98 125.31 6.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.824 0.345 . . . . 0.0 110.922 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.4 t -135.3 114.09 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.153 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 59.65 31.15 70.37 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.515 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.58 -29.04 10.98 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.468 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.5 t -74.37 113.54 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.833 0.349 . . . . 0.0 111.166 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.6 ttm-85 -88.66 127.7 35.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -102.48 -31.4 10.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.914 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -174.43 178.92 1.89 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.468 HD12 HG21 ' A' ' 69' ' ' ILE . 28.9 mt -115.33 102.35 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.171 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 28.9 p -124.15 154.82 68.47 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_endo -61.75 176.47 1.3 Allowed 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.526 2.151 . . . . 0.0 112.2 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -50.75 112.27 0.73 Allowed 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.536 2.157 . . . . 0.0 112.434 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt 60.55 110.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.07 -40.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.34 131.4 35.41 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.557 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 17.1 tp -135.99 131.26 34.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.887 0.375 . . . . 0.0 110.849 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -110.75 124.27 51.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -146.49 172.24 13.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.161 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.4 m -81.3 143.64 32.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.8 m -59.02 -29.2 40.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.176 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.5 m -58.66 -30.42 67.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.9 mttm -103.79 31.04 4.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.855 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 31.2 mt -148.01 140.03 18.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.111 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 63.8 p -118.57 179.08 4.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.1 ptmt -100.6 77.27 1.89 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.0 144.78 56.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.195 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.9 t -128.17 84.69 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.107 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 61.95 94.02 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.97 -58.52 7.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.063 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 37.0 p -77.64 99.84 5.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 162.96 101.55 0.16 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.463 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -67.51 178.24 3.36 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.47 2.114 . . . . 0.0 112.306 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 30.1 t -80.81 156.44 26.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 t -146.18 163.99 33.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.354 -1.248 . . . . 0.0 112.506 -179.972 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.194 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.4 m -98.08 36.51 1.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.815 0.341 . . . . 0.0 110.943 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -60.78 -32.13 71.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.24 -135.01 0.33 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.536 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -117.02 167.87 10.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.814 0.34 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.9 t -141.36 31.89 1.71 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.942 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.62 -69.26 3.33 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.557 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 100.74 -163.14 18.53 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.463 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 16.8 m-20 -163.21 31.32 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.81 0.338 . . . . 0.0 110.945 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.3 tp -84.44 -58.08 2.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.01 -29.6 19.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.7 mt -58.91 -53.31 59.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 81.4 p -60.56 -33.66 73.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.26 -53.49 24.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.065 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 18.4 mt -64.57 -51.26 63.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.941 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.09 43.72 0.77 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.502 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.7 tp -139.97 162.98 33.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.803 0.335 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.7 mtt180 -125.14 160.57 28.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.002 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 93.8 mt -65.11 135.59 55.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.78 19.7 36.39 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.696 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -108.62 158.59 17.45 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.876 0.37 . . . . 0.0 110.781 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.07 148.43 26.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 31.2 m -137.85 159.35 33.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.114 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.8 tp -101.68 117.97 35.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 88.9 mt -96.66 111.79 23.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.91 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.7 t70 59.51 28.8 18.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.002 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 57.42 50.86 61.46 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.572 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.3 -73.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.763 0.316 . . . . 0.0 110.868 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.42 158.89 30.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.96 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -130.67 126.43 36.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -131.1 172.14 20.78 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.541 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.1 m -107.77 114.59 28.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.787 0.327 . . . . 0.0 110.832 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.2 tp -62.59 107.77 1.01 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.89 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.415 ' HD3' ' CG ' ' A' ' 68' ' ' PHE . 1.6 mmp_? -96.46 -31.78 12.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -137.64 162.72 33.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 9.1 t -158.59 129.35 6.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.96 -132.21 5.28 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.472 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 30.4 p -104.48 172.86 6.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.842 0.353 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.414 HG21 ' CZ ' ' A' ' 41' ' ' PHE . 1.0 OUTLIER -135.17 170.83 15.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.854 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.96 -46.12 8.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.833 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.414 ' CZ ' HG21 ' A' ' 39' ' ' THR . 22.6 p90 -60.24 -31.54 70.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.927 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.93 110.52 6.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.047 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.13 95.52 2.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 178.88 -152.68 11.49 Favored Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -89.7 109.98 20.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.789 0.328 . . . . 0.0 110.903 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 92.1 m95 -141.75 153.2 44.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 31.0 m -144.17 139.86 24.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.152 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -83.07 116.84 4.28 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.481 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.5 t -122.15 126.01 73.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.8 0.333 . . . . 0.0 111.13 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -92.91 113.88 26.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 mt -63.16 127.74 32.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.57 -35.16 79.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -72.66 155.01 91.3 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.31 62.89 2.73 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.549 2.166 . . . . 0.0 112.302 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -159.78 150.0 18.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 177.34 -174.34 46.9 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -140.33 35.85 1.88 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.856 0.36 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -175.91 141.13 0.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -98.73 32.85 2.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.818 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 78.82 27.51 56.53 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.497 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 42.4 t -159.99 147.04 16.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.777 0.322 . . . . 0.0 110.944 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.4 t -133.87 106.91 9.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.098 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 62.18 -101.85 0.41 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.515 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -116.7 28.49 7.39 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.478 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.6 t -136.02 139.06 46.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.849 0.357 . . . . 0.0 111.054 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.3 ttm-85 -120.32 136.19 54.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.43 ' N ' ' CD1' ' A' ' 67' ' ' TYR . 3.6 m-85 -111.71 -34.19 6.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.415 ' CG ' ' HD3' ' A' ' 34' ' ' ARG . 24.2 p90 -168.81 -179.13 3.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.952 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 1.6 pt -118.04 129.87 73.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.087 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 30.3 p -156.56 161.8 28.8 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -56.05 169.35 1.47 Allowed 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.647 2.232 . . . . 0.0 112.136 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -63.76 123.09 11.41 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.538 2.159 . . . . 0.0 112.195 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.3 mttp 62.34 89.37 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -165.86 -43.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -78.99 144.52 27.54 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.486 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -153.32 146.76 24.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.802 0.334 . . . . 0.0 110.948 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -109.33 146.76 33.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -155.98 176.16 13.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.095 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.7 m -88.15 143.43 27.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 15.5 m -57.67 -29.18 33.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.247 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.2 m -59.79 -30.67 69.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.972 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.4 mtpt -103.04 30.15 5.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.984 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 41.8 mt -141.77 154.4 19.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.074 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.96 180.0 5.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.936 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 11.1 tttm -97.28 38.91 1.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.837 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . 59.6 167.56 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 6.3 m -101.48 169.75 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.209 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -154.66 132.39 11.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.829 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -166.31 -43.54 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.159 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.53 33.93 3.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 63.84 171.51 2.11 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.5 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.24 -177.8 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.556 2.171 . . . . 0.0 112.303 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.8 m -97.51 -69.25 0.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.17 92.37 0.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.418 -1.212 . . . . 0.0 112.58 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.18 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.6 m -136.18 33.06 2.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.798 0.332 . . . . 0.0 110.961 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.93 -60.67 1.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.87 -124.03 2.28 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.523 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 m -76.53 136.64 39.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.792 0.329 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -147.03 160.68 42.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.951 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.65 -162.41 21.87 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.547 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 91.49 -162.45 28.06 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.449 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -70.02 148.3 49.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.854 0.359 . . . . 0.0 110.883 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.12 -33.94 11.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.0 mmt -60.12 -43.09 95.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 25.9 mt -62.72 -53.52 53.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.4 m -60.79 -32.48 71.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.99 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.35 -36.23 83.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.158 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.5 mt -84.05 -53.4 5.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.945 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 125.42 41.55 0.35 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.506 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.0 tp -146.2 158.32 43.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.783 0.325 . . . . 0.0 110.866 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -118.59 168.63 10.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 55.7 mt -73.53 152.25 40.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.985 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.35 -42.38 2.08 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.433 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.59 175.37 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.826 0.346 . . . . 0.0 110.87 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -107.18 161.45 14.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.8 m -132.9 162.68 39.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.115 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.3 tp -107.4 120.5 42.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.929 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 64.3 mt -96.07 118.38 32.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.9 t0 61.09 28.32 18.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 57.31 39.04 89.67 Favored Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.529 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -155.99 -72.69 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.831 0.348 . . . . 0.0 110.985 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.19 150.64 29.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -121.6 129.66 52.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -132.13 166.47 23.23 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.487 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.7 m -110.65 111.09 22.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 0.0 110.928 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 59.9 tp -60.18 147.29 40.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.77 -47.48 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -119.91 150.7 40.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 48.4 t -153.57 150.12 28.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 115.37 -157.98 14.66 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.8 -0.715 . . . . 0.0 112.518 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.1 p -80.88 173.06 12.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.872 0.368 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 17.4 p -134.25 169.21 17.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -74.9 -44.41 48.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.933 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.419 ' CD1' ' N ' ' A' ' 42' ' ' ALA . 40.4 p90 -63.37 -38.61 91.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.815 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.419 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . -144.77 144.18 31.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.106 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.85 98.05 7.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -166.18 -124.41 0.71 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.487 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -119.82 112.79 19.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.863 0.363 . . . . 0.0 110.857 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 72.5 m95 -143.59 146.92 33.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 29.5 m -145.6 135.2 17.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.183 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -75.36 123.22 7.12 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.546 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.2 t -122.89 127.12 74.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.853 0.359 . . . . 0.0 111.091 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -104.86 105.32 15.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 57.0 mt -59.98 127.55 32.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -65.34 -39.5 92.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.91 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.47 160.42 79.61 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.855 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.97 62.71 2.47 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.605 2.204 . . . . 0.0 112.244 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -143.23 154.21 43.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 160.14 -134.69 3.75 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.472 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -176.42 -40.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.79 0.329 . . . . 0.0 110.921 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -110.08 157.67 19.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.65 27.75 4.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.028 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 95.84 -27.88 14.61 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.51 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.1 t -107.15 142.58 36.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.854 0.359 . . . . 0.0 110.932 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.6 t -137.05 123.58 28.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 65.28 -119.74 15.47 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.455 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -110.02 28.3 10.67 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.541 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.6 t -147.13 139.88 19.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.79 0.328 . . . . 0.0 111.08 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -120.21 143.7 48.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.948 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -107.33 -31.12 8.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 30.6 p90 -173.23 -178.16 1.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 10.3 pt -115.44 140.2 38.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.18 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 31.5 p -155.92 153.03 25.02 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.974 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -52.6 176.28 0.07 OUTLIER 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.659 2.239 . . . . 0.0 112.314 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.24 110.06 0.41 Allowed 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.634 2.222 . . . . 0.0 112.233 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.3 mttt 60.86 111.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -177.1 -39.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.957 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -59.43 124.63 37.04 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.498 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.9 tp -138.26 114.85 10.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.786 0.327 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -99.13 140.37 33.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.913 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -157.57 -179.98 8.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.17 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.73 147.49 25.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 31.1 m -57.69 -34.09 46.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.226 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 59.8 m -64.35 -28.14 69.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.082 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -97.76 28.97 3.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.084 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.465 HD11 HG21 ' A' ' 83' ' ' ILE . 30.6 mt -150.59 153.22 10.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.884 0.373 . . . . 0.0 111.152 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 17.1 m -113.32 171.3 7.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.83 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.7 pttt -99.99 47.61 0.94 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.969 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . 58.71 90.9 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.123 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.6 m -116.07 140.87 36.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.159 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -85.27 165.12 17.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.954 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -108.9 76.87 1.03 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.106 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m -100.41 130.04 46.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -115.26 83.68 0.34 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.469 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.35 -59.7 0.99 Allowed 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.585 2.19 . . . . 0.0 112.274 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 39.5 p -96.48 -56.04 2.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 64.0 m -110.3 179.2 4.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.094 0 CA-C-O 118.366 -1.241 . . . . 0.0 112.525 -179.969 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.312 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 60.36 167.02 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.811 0.339 . . . . 0.0 110.916 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.65 129.82 1.91 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.96 -83.97 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.463 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.3 m 60.39 174.51 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.753 0.311 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 p -131.83 31.31 4.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.84 -139.15 7.56 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.461 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 94.65 -110.53 4.02 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.539 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -78.85 168.11 20.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.761 0.315 . . . . 0.0 110.897 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.02 -39.05 8.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.976 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 3.1 mpp? -97.48 -55.45 2.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.95 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 21.5 mt -59.19 -29.8 67.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.957 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.13 -31.39 34.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.956 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.63 -32.16 70.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.183 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.5 mt -94.35 -58.95 2.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 123.89 40.38 0.45 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.54 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 26.2 tp -128.64 161.96 28.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.838 0.352 . . . . 0.0 110.961 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.1 ttt85 -127.45 161.05 29.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.8 mt -76.84 151.01 36.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.841 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.63 -29.8 9.84 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.432 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.06 168.95 18.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.792 0.33 . . . . 0.0 110.886 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -93.42 149.81 20.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.5 m -130.74 168.84 22.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.055 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.8 tp -115.08 104.97 12.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 32.1 mt -81.86 125.62 30.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.945 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 60.08 26.54 15.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.033 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 55.47 43.43 85.32 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.716 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -166.65 -67.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.796 0.331 . . . . 0.0 110.927 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.94 134.82 57.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.15 123.43 43.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -133.45 177.28 19.12 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.536 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 60.1 m -125.29 125.03 42.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.815 0.34 . . . . 0.0 110.913 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 35.8 tp -67.22 140.11 57.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.421 ' HD3' ' CG ' ' A' ' 68' ' ' PHE . 3.0 mtp85 -131.56 -52.88 1.01 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.965 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.432 ' CD2' ' N ' ' A' ' 36' ' ' CYS . 54.8 t80 -109.39 163.32 13.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.432 ' N ' ' CD2' ' A' ' 35' ' ' PHE . 23.2 p -155.36 116.49 3.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.19 -148.85 20.43 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.475 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 47.5 p -85.24 -178.27 6.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.804 0.335 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.4 p -129.66 177.4 7.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -93.55 -43.42 8.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.941 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -70.05 -31.59 69.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -135.24 -179.61 5.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -133.63 138.8 46.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 139.45 -156.5 24.66 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.472 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -92.7 106.34 18.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.808 0.337 . . . . 0.0 110.889 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 77.3 m95 -132.4 154.79 49.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.7 m -144.17 137.01 23.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -80.44 123.5 6.09 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.411 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.6 t -129.07 133.29 66.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.867 0.365 . . . . 0.0 111.094 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -105.48 115.44 30.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.2 mp -73.21 138.47 45.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.947 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -65.09 -48.88 72.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -65.5 151.65 93.96 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -72.02 62.24 3.24 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.544 2.162 . . . . 0.0 112.268 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -155.71 100.53 2.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -129.78 -113.51 1.64 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.499 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -176.63 -47.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.791 0.329 . . . . 0.0 110.867 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 24.7 m-80 -111.56 158.78 18.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -98.42 30.53 3.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.41 ' HA2' ' CE1' ' A' ' 68' ' ' PHE . . . 96.26 -27.77 15.66 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.526 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -109.14 142.88 39.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.866 0.365 . . . . 0.0 110.84 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.4 t -142.07 117.25 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.16 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 64.02 27.09 70.85 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.569 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 99.4 -28.02 17.39 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.549 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.5 t -79.85 118.87 28.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.81 0.338 . . . . 0.0 111.102 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 35.9 ttp180 -94.29 117.47 30.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -92.72 -30.91 15.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.907 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.421 ' CG ' ' HD3' ' A' ' 34' ' ' ARG . 15.5 p90 -174.18 179.87 1.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.965 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.9 mp -121.78 124.19 70.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.081 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 31.5 p -152.25 160.98 30.59 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.944 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 76.2 Cg_exo -49.81 167.45 0.2 Allowed 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.541 2.161 . . . . 0.0 112.255 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -58.22 122.55 11.87 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.606 2.204 . . . . 0.0 112.235 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.58 91.97 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.84 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 5.9 tt0 -162.67 -44.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.975 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -72.31 130.25 15.65 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.499 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.2 tp -135.69 120.97 19.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.804 0.335 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -99.85 117.28 33.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -138.46 170.85 15.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.079 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.8 m -80.86 150.46 29.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 23.0 m -59.8 -26.04 34.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.241 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 84.4 p -56.18 -31.47 63.45 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.008 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -107.17 30.61 6.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.812 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 30.4 mt -142.17 145.1 24.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.066 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.1 m -138.27 177.83 7.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.987 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -78.32 134.38 37.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.87 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -79.46 174.8 11.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.5 t -101.48 118.54 48.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.104 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -110.98 121.3 45.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.971 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -121.37 -42.76 2.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.11 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.67 112.81 1.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.946 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -167.2 -95.12 0.1 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.529 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -72.83 -169.35 0.48 Allowed 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.539 2.159 . . . . 0.0 112.251 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.9 p -72.95 -41.48 64.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -162.12 -63.67 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.954 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.083 0 CA-C-O 118.314 -1.27 . . . . 0.0 112.477 -179.97 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.191 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.3 m -77.84 -56.76 4.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.819 0.343 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.8 t -172.13 113.68 0.31 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.41 147.22 7.16 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.457 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.5 m -148.83 100.06 3.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.827 0.346 . . . . 0.0 110.978 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.6 p -108.28 30.68 6.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.953 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.91 59.73 0.43 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.525 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 175.25 -34.51 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.549 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -58.54 98.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.818 0.342 . . . . 0.0 110.937 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.98 -55.51 2.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.1 tpt -89.16 -36.28 15.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.964 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.3 mt -59.11 -31.26 68.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.959 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.1 m -70.43 -51.4 29.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.41 -32.68 72.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.068 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.0 mt -74.95 -65.05 0.92 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.925 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 128.63 43.01 0.23 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.867 -0.683 . . . . 0.0 112.485 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.4 tp -148.62 154.34 39.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.754 0.312 . . . . 0.0 110.913 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.42 153.22 31.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 28.4 mt -59.97 131.33 50.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.72 -24.12 33.19 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.588 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -59.92 152.35 23.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.774 0.321 . . . . 0.0 110.86 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.1 ttm-85 -72.4 145.48 47.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 16.0 m -135.77 141.33 42.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.043 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.9 tp -100.68 117.5 34.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.84 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 15.6 mt -102.28 135.53 43.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 59.52 24.97 13.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.027 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 55.45 38.45 70.03 Favored Glycine 0 C--N 1.33 0.246 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.673 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -168.32 -59.2 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.791 0.329 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.01 138.95 57.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -105.32 118.99 37.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -121.85 158.37 16.56 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.552 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -114.6 117.35 30.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.786 0.327 . . . . 0.0 110.965 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 46.1 tp -60.23 150.92 28.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -142.67 -56.14 0.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.426 ' CD2' ' CD1' ' A' ' 67' ' ' TYR . 71.7 t80 -125.38 162.16 25.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.957 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 52.5 t -153.51 154.69 34.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.794 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 125.54 -145.45 15.71 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.486 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.6 p -103.31 154.19 19.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.839 0.352 . . . . 0.0 110.834 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.415 HG23 ' CZ ' ' A' ' 41' ' ' PHE . 20.1 p -104.42 179.06 4.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -100.46 -46.68 5.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.912 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.415 ' CZ ' HG23 ' A' ' 39' ' ' THR . 26.1 p90 -62.99 -31.66 72.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.808 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -134.4 171.59 14.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.14 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 22.2 t -119.47 140.37 50.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 139.12 -151.09 21.62 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.481 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.82 108.41 16.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.759 0.314 . . . . 0.0 110.873 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 42.5 m95 -120.38 165.08 15.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 29.4 m -151.79 134.89 7.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.15 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -74.97 116.06 4.9 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.481 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.4 t -121.83 120.45 61.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.814 0.34 . . . . 0.0 111.156 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -93.98 115.12 27.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 46.1 mt -71.02 128.54 36.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.847 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -60.37 -43.04 96.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.37 163.47 64.18 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.944 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 78.93 0.96 Allowed 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.55 2.167 . . . . 0.0 112.258 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -159.99 138.84 10.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.831 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 171.92 169.05 34.26 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.505 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.8 ttmm -115.42 -36.01 4.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.813 0.339 . . . . 0.0 111.013 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -106.81 167.84 9.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -117.41 28.88 8.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.946 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.418 ' HA2' ' CE2' ' A' ' 68' ' ' PHE . . . 95.99 -33.22 5.71 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.535 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.5 m -114.58 142.59 46.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.864 0.364 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.414 HG22 ' CE2' ' A' ' 77' ' ' PHE . 21.6 t -135.22 110.88 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.131 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 62.06 -116.47 9.41 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.488 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -108.88 28.41 11.33 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.5 t -133.4 133.12 57.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.874 0.368 . . . . 0.0 111.107 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.41 128.9 56.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.922 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.426 ' CD1' ' CD2' ' A' ' 35' ' ' PHE . 43.1 m-85 -114.88 -38.41 3.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.418 ' CE2' ' HA2' ' A' ' 60' ' ' GLY . 22.8 p90 -166.43 -178.09 4.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 21.4 mt -125.82 125.88 69.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 27.9 p -146.65 147.46 30.35 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.19 172.56 0.19 Allowed 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.495 2.13 . . . . 0.0 112.373 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -52.57 118.85 5.09 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.594 2.196 . . . . 0.0 112.262 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.9 mtmm 60.06 99.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -171.78 -41.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -81.79 128.24 8.36 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.608 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.9 tt -133.36 120.66 21.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.889 0.376 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.414 ' CE2' HG22 ' A' ' 62' ' ' VAL . 90.2 m-85 -82.74 109.95 17.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.956 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -122.8 177.59 5.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.099 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 34.9 m -99.87 137.95 37.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 12.9 m -54.94 -29.95 22.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.276 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.7 m -65.45 -28.52 69.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.037 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -103.32 28.48 6.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.2 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 48.9 mt -139.35 153.83 24.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.045 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 72.2 p -131.36 179.96 5.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.896 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -90.61 130.91 36.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -108.7 41.87 1.51 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.135 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 17.4 t -100.63 36.67 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.064 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -169.13 -53.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . 60.52 32.14 20.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.027 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 48.1 t -124.96 -69.08 0.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -150.87 -156.44 7.36 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.465 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.86 106.76 1.74 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.494 2.129 . . . . 0.0 112.34 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 m -149.6 136.52 19.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 13.3 p -169.14 139.82 2.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.392 -1.227 . . . . 0.0 112.469 179.975 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.196 0 N-CA-C 112.542 -0.223 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 t -72.65 165.48 24.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.834 0.349 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.5 m -120.8 142.07 49.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.28 134.07 2.01 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.519 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 m 60.51 90.79 0.06 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.779 0.323 . . . . 0.0 110.837 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.47 160.51 32.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.25 -155.06 1.31 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.478 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 95.55 31.92 7.22 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.52 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 -61.98 110.9 1.71 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.829 0.347 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.2 pp -99.97 -41.03 7.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -100.04 -37.47 8.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.815 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.0 mt -65.65 -31.18 72.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.9 t -84.97 -32.3 23.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.85 -32.99 71.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.186 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.1 mt -86.01 -49.47 7.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.1 38.44 1.14 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.5 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.9 tp -149.39 152.41 35.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.754 0.311 . . . . 0.0 110.896 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.7 mtt180 -112.43 166.03 11.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.2 mt -76.65 143.39 40.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.018 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.73 -28.2 14.56 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.474 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.25 180.0 0.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.843 0.354 . . . . 0.0 110.843 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -98.81 145.33 27.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.7 m -140.58 148.23 22.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.111 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.3 tp -104.33 118.41 36.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 76.4 mt -89.9 123.03 33.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.05 23.15 11.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 54.32 52.51 43.92 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.675 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -167.54 -50.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.833 0.349 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.79 133.17 34.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.912 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -95.32 116.91 29.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.867 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -121.25 160.42 15.59 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.52 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -108.19 119.44 39.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.794 0.331 . . . . 0.0 110.885 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 15.8 tp -60.29 138.63 57.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -128.69 -51.08 1.25 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.822 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -125.22 156.97 37.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 31.0 t -158.8 143.04 15.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.971 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 126.87 -140.56 12.01 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.468 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -96.11 163.54 13.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.843 0.354 . . . . 0.0 110.849 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 30.3 p -113.33 160.81 17.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -87.09 -43.63 12.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 31.0 p90 -66.1 -35.04 79.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -135.56 -176.65 4.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.123 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.5 t -123.96 161.74 24.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 122.8 -139.36 12.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.456 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.7 109.03 8.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.787 0.327 . . . . 0.0 110.89 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 70.0 m95 -124.48 165.52 17.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 13.4 m -151.11 130.02 3.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -79.66 127.3 7.9 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.48 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 22.1 t -126.65 139.42 51.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.841 0.353 . . . . 0.0 111.065 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -107.78 100.25 9.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.855 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 15.0 mt -60.04 136.54 58.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -67.38 -51.87 46.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -65.15 164.0 26.46 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.66 62.94 2.3 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.579 2.186 . . . . 0.0 112.219 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -143.79 140.82 30.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.951 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 179.29 -156.71 19.11 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.535 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.9 mmmt -150.23 -50.04 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.813 0.34 . . . . 0.0 110.964 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -114.78 159.82 20.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.971 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -104.34 33.71 3.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.919 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 74.0 23.88 75.18 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.492 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.97 111.35 6.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.768 0.318 . . . . 0.0 110.79 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 20.5 t -128.08 129.41 69.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.193 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 59.21 -108.82 1.78 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.53 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -125.64 28.52 4.95 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.456 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.5 t -137.38 130.78 43.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.872 0.368 . . . . 0.0 111.128 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -105.77 122.09 45.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -92.35 -31.58 15.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.983 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 29.1 p90 -176.47 174.28 1.94 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.4 mp -118.65 119.98 62.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 24.2 p -140.45 156.65 69.44 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.841 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.17 167.28 0.53 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.559 2.173 . . . . 0.0 112.292 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -53.11 118.46 4.84 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.643 2.229 . . . . 0.0 112.332 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.27 104.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.992 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -176.83 -39.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.2 118.04 4.61 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.463 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 43.6 tp -123.35 128.16 49.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.827 0.346 . . . . 0.0 110.884 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -97.36 117.55 31.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -135.05 167.73 20.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.115 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 m -75.76 147.48 39.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 11.4 m -59.55 -30.71 45.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.213 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 19.3 m -60.46 -29.83 69.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.954 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -98.37 31.06 2.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 28.6 mt -148.18 153.44 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.045 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 89.0 p -132.81 150.06 52.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.938 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 4.8 mtmt -60.38 131.12 49.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -99.52 54.69 0.96 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.031 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 13.6 t -119.07 30.73 2.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.092 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 59.13 177.02 0.07 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -145.46 81.45 1.62 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.074 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 16.2 m -81.0 -34.21 33.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.957 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 151.5 94.63 0.11 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.556 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -68.51 65.41 1.16 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.546 2.164 . . . . 0.0 112.218 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 71.3 m -128.22 89.41 2.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 58.8 m -102.17 121.34 42.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.841 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.421 -1.211 . . . . 0.0 112.55 -179.96 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.232 0 N-CA-C 112.564 -0.214 . . . . 0.0 112.564 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.5 p -123.8 -43.99 2.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.751 0.31 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.0 m -119.28 31.92 6.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.936 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.73 -105.92 0.3 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.475 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -102.15 148.23 25.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.834 0.35 . . . . 0.0 110.867 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.41 177.68 8.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.75 156.97 24.41 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.485 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 81.35 70.04 1.36 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.458 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 22.1 m-80 -110.35 107.71 17.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.83 0.348 . . . . 0.0 110.95 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.4 tp -59.93 -31.27 69.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.94 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 61.9 mtp -59.2 -60.57 3.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.931 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 56.3 mt -68.9 -29.81 68.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.6 t -58.33 -48.84 79.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.934 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.6 -44.06 68.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.129 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.9 mt -64.63 -31.21 72.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.74 29.54 10.62 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.488 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 17.1 tp -113.5 163.78 14.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.796 0.332 . . . . 0.0 110.914 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.1 mtt85 -121.57 167.9 12.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.1 mt -93.07 142.19 27.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.6 -28.42 13.46 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.492 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.67 179.98 0.96 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.814 0.34 . . . . 0.0 110.933 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.64 157.38 15.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.84 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 17.1 m -138.25 163.83 28.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.8 tp -114.66 117.51 31.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.008 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 54.7 mt -95.89 130.43 42.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.9 t70 60.73 25.73 15.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.019 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 55.45 45.97 82.15 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.681 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -170.72 -64.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.798 0.332 . . . . 0.0 110.947 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.02 150.01 30.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.946 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 77.5 p -116.5 133.96 55.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -139.39 171.42 23.72 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.49 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.2 m -117.29 120.55 38.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.805 0.336 . . . . 0.0 110.947 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 19.3 tp -75.47 140.14 42.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.906 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 9.4 mtp180 -133.55 -46.67 0.81 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.441 ' CD1' ' N ' ' A' ' 36' ' ' CYS . 59.9 t80 -115.85 160.24 20.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.441 ' N ' ' CD1' ' A' ' 35' ' ' PHE . 53.0 t -160.01 154.51 23.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.895 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.32 -153.41 17.63 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.494 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.3 p -90.71 151.58 21.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.812 0.339 . . . . 0.0 110.929 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.4 p -99.16 -178.53 3.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.818 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -92.15 -56.85 2.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -60.05 -30.31 69.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.968 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -133.39 174.16 10.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.067 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -134.1 150.33 51.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 130.41 -143.61 14.93 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.473 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.9 mp0 -102.11 111.33 23.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.87 0.367 . . . . 0.0 110.857 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 96.6 m95 -135.74 149.66 49.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.3 m -147.51 126.89 4.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -82.99 123.13 5.97 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.6 t -127.62 138.18 55.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.823 0.344 . . . . 0.0 111.012 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -97.84 118.72 35.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.937 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 89.1 mt -71.64 127.37 32.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.89 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -67.45 -34.2 76.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.09 156.54 85.91 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.35 63.01 2.13 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.596 2.197 . . . . 0.0 112.27 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -154.58 140.48 18.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -174.59 -129.7 1.21 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.539 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.56 -40.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.889 0.376 . . . . 0.0 110.95 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 26.5 m-20 -115.51 -178.36 3.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -120.24 29.9 7.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.411 ' HA2' ' CE2' ' A' ' 68' ' ' PHE . . . 94.21 -41.7 2.57 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.528 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 37.8 p -102.58 139.62 37.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.763 0.316 . . . . 0.0 110.927 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.5 t -127.17 115.91 42.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.041 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 59.64 -121.07 25.46 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.409 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -97.24 24.17 32.54 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.664 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.401 HG11 ' CZ ' ' A' ' 67' ' ' TYR . 30.2 t -129.24 135.56 61.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.876 0.37 . . . . 0.0 110.984 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.2 ttt180 -117.89 124.61 48.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.933 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.423 ' N ' ' CD1' ' A' ' 67' ' ' TYR . 4.1 m-85 -108.07 -35.53 6.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.971 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.411 ' CE2' ' HA2' ' A' ' 60' ' ' GLY . 24.8 p90 -177.13 175.12 1.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.458 HD11 HG23 ' A' ' 69' ' ' ILE . 12.5 pt -117.07 121.16 67.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.152 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.1 p -138.17 158.66 70.58 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.47 164.38 1.39 Allowed 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.514 2.142 . . . . 0.0 112.268 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.69 117.7 3.96 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.603 2.202 . . . . 0.0 112.245 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.6 mmtp 59.95 92.01 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.75 -42.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -73.41 117.59 5.9 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.493 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.04 131.4 34.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.841 0.353 . . . . 0.0 110.919 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -96.13 155.02 16.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -160.05 161.99 34.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.079 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.7 m -73.41 148.07 43.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.829 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 20.8 m -55.55 -30.44 26.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.326 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.8 m -57.8 -26.89 62.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt -107.66 41.52 1.5 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.025 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 22.0 mm -135.57 140.91 43.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.157 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -125.64 156.61 38.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.752 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 11.3 mttm -77.29 124.77 28.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -115.32 44.52 1.82 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.057 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 13.5 m -72.42 177.89 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.2 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -80.67 132.88 35.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -131.71 78.57 1.83 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.57 130.23 39.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -145.44 -96.69 0.2 Allowed Glycine 0 CA--C 1.52 0.368 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.533 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -61.27 -60.9 0.19 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.529 2.153 . . . . 0.0 112.366 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 78.7 p -130.77 158.71 39.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.965 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 10.6 m -102.49 34.91 2.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.321 -1.266 . . . . 0.0 112.465 179.913 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.277 0 N-CA-C 112.551 -0.22 . . . . 0.0 112.551 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.8 m 60.46 100.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.772 0.32 . . . . 0.0 110.93 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 p -157.54 97.87 1.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.89 -32.09 0.2 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.537 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 t -122.19 -50.95 2.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.83 0.347 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 60.45 78.96 0.26 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.68 87.67 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.512 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -92.2 -124.57 3.41 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.469 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -75.29 150.44 38.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.864 0.364 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.2 tp -99.99 -31.49 11.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 57.6 mmm -91.25 -48.45 6.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.942 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 57.8 mt -59.34 -30.85 68.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.974 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.0 p -59.75 -31.38 69.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.94 -31.65 17.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.095 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.1 mt -71.82 -43.61 65.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.38 37.91 5.77 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.46 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.6 tp -139.15 163.16 33.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.788 0.328 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -112.46 160.19 18.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.8 mt -72.65 145.68 47.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.06 -36.86 3.67 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.484 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -60.18 160.52 8.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.785 0.326 . . . . 0.0 110.961 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.5 mtt180 -79.2 160.69 26.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 19.3 m -135.35 178.74 4.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.138 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.3 tp -122.55 115.65 22.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 40.6 mt -98.02 129.67 44.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.5 t70 60.37 27.21 16.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.968 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 56.07 25.81 47.46 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.696 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -152.93 -59.97 0.14 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.761 0.315 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.04 157.4 12.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -121.37 144.64 48.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.827 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -151.92 -177.68 25.88 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.493 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.8 m -123.71 121.27 35.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.793 0.33 . . . . 0.0 110.894 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 21.1 tp -67.55 121.57 16.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.927 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.428 ' HD3' ' CG ' ' A' ' 68' ' ' PHE . 29.2 mtp85 -115.83 -39.15 3.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.868 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -133.06 153.06 51.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 25.3 t -159.82 137.97 10.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.935 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 130.35 -130.77 6.31 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.52 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -107.43 164.42 12.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.826 0.346 . . . . 0.0 110.837 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 7.6 p -122.7 179.85 4.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.16 -30.48 15.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -98.81 30.9 3.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.94 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -170.81 148.22 2.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.122 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.4 m -114.99 36.64 3.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -132.95 -153.4 7.2 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.518 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -97.81 124.27 42.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.867 0.365 . . . . 0.0 110.856 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 79.0 m95 -141.11 160.45 40.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 19.1 m -151.1 134.93 8.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.131 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.413 ' HA3' ' CE1' ' A' ' 77' ' ' PHE . . . -99.46 122.72 7.67 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.46 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.3 t -134.63 136.33 52.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.855 0.36 . . . . 0.0 111.09 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -81.23 126.22 31.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.4 mt -74.68 131.88 41.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.949 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -61.16 -35.74 77.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.927 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -93.55 157.49 38.36 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.61 65.43 1.71 Allowed 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.537 2.158 . . . . 0.0 112.223 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -134.25 155.06 50.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.914 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 141.45 -158.99 26.69 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.472 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.8 tptm -145.67 -47.89 0.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.786 0.327 . . . . 0.0 110.937 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 -89.92 153.65 20.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.58 30.03 3.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.798 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.32 -31.75 7.12 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.565 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 75.0 p -110.64 146.37 36.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.856 0.36 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.6 t -126.51 106.27 15.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.058 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 62.99 -97.96 0.21 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.477 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -119.27 28.38 6.59 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.5 t -132.82 117.89 31.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.803 0.335 . . . . 0.0 111.133 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.1 ttt180 -99.41 126.15 45.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -105.0 -33.31 8.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.428 ' CG ' ' HD3' ' A' ' 34' ' ' ARG . 12.4 p90 -177.0 -178.53 0.83 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.942 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 27.8 mt -114.88 117.22 54.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.083 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 16.8 p -140.73 156.15 69.06 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.403 ' CB ' ' HD2' ' A' ' 72' ' ' PRO . 17.1 Cg_endo -57.59 173.24 0.8 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.584 2.19 . . . . 0.0 112.084 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.403 ' HD2' ' CB ' ' A' ' 71' ' ' PRO . 18.8 Cg_endo -58.18 114.85 2.15 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.544 2.163 . . . . 0.0 112.237 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.7 mttm 61.83 77.22 0.34 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.988 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -159.2 28.53 0.2 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -139.16 126.45 3.36 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.423 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 10.9 tp -126.17 146.77 49.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.825 0.345 . . . . 0.0 110.93 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . 0.413 ' CE1' ' HA3' ' A' ' 48' ' ' GLY . 93.3 m-85 -127.33 106.53 9.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.81 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -131.39 176.34 8.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.183 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.0 m -76.38 166.13 23.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 8.3 m -63.26 -29.6 47.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.33 -30.49 68.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.94 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.7 mtmt -97.79 36.66 1.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.96 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 23.1 mm -140.03 152.45 22.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.114 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.2 m -145.23 160.97 40.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.78 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.46 134.12 37.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.827 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -98.0 34.5 1.91 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.054 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.5 t -144.44 -52.48 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 64.34 -78.81 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.965 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -79.53 72.18 6.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.071 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 6.7 t -107.21 156.14 19.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -178.21 155.18 16.3 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.537 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.12 -28.21 32.28 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.556 2.171 . . . . 0.0 112.307 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.65 131.73 40.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.834 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 70.7 p -149.13 -57.29 0.2 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.029 0 CA-C-O 118.349 -1.251 . . . . 0.0 112.509 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.23 0 N-CA-C 112.568 -0.213 . . . . 0.0 112.568 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 p -96.62 107.53 19.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.718 0.294 . . . . 0.0 110.946 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -116.38 -66.52 1.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.28 -55.33 0.65 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.478 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.6 p -156.84 34.57 0.3 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.767 0.318 . . . . 0.0 110.822 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.26 160.92 19.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.9 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.13 161.89 34.25 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.598 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -113.39 -44.73 0.77 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.459 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -88.03 83.22 7.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.851 0.357 . . . . 0.0 110.846 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.5 pp -87.45 -25.15 23.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.08 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.0 mpp? -56.49 -59.75 4.53 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.043 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.2 mt -59.12 -31.84 69.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.4 t -69.58 -46.72 65.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.8 -30.91 59.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.7 mt -72.66 -59.57 2.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.836 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.28 52.65 0.44 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 14.5 tp -154.79 160.6 41.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.848 0.356 . . . . 0.0 110.874 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.16 166.28 12.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.8 mt -79.05 159.13 27.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.37 22.01 58.01 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.562 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -105.38 157.41 17.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.774 0.321 . . . . 0.0 110.857 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.3 ttp180 -82.54 141.7 32.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.946 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 16.8 m -132.15 164.9 33.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.131 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 23.9 tp -106.56 110.74 23.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 65.1 mt -92.32 131.62 37.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 59.37 25.47 14.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.048 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 55.75 36.49 65.78 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.695 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.33 -51.53 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.853 0.359 . . . . 0.0 110.891 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.29 161.84 30.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.1 p -123.72 143.98 49.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.825 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -142.61 -179.96 19.84 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.459 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.83 110.36 14.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.856 0.36 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.5 tp -60.51 125.05 22.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.421 ' HD3' ' CG ' ' A' ' 68' ' ' PHE . 4.9 mtp85 -121.91 -42.67 2.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.968 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -131.13 154.91 47.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.929 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.0 t -155.9 141.92 18.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 127.15 -139.85 11.48 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.533 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -88.93 162.28 16.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.779 0.323 . . . . 0.0 110.958 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.432 ' CG2' ' CE2' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -127.62 167.84 15.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.851 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.59 -30.94 26.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.432 ' CE2' ' CG2' ' A' ' 39' ' ' THR . 53.8 p90 -84.34 -31.0 25.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.93 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.65 105.5 4.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.243 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -78.61 117.73 20.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 164.69 -112.21 0.5 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.503 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -130.96 104.09 6.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.778 0.323 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 71.2 m95 -137.85 165.6 26.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 30.9 m -148.83 131.38 6.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -88.24 115.94 4.49 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.499 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.5 t -122.37 150.67 26.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.85 0.357 . . . . 0.0 111.088 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -105.97 116.46 31.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.882 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 50.1 mt -62.83 129.73 41.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.37 -34.97 78.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -86.58 156.24 56.23 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -62.26 75.63 0.1 OUTLIER 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.736 2.291 . . . . 0.0 112.314 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -160.05 141.7 12.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.889 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 174.63 -169.1 42.0 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.557 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.7 mtmm -132.03 -46.43 0.93 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.891 0.377 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 10.2 m-80 -111.59 167.07 10.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -108.0 35.41 3.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.852 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 102.37 -47.02 1.18 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.45 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -103.21 133.88 47.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.821 0.343 . . . . 0.0 110.889 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.5 t -135.51 133.45 52.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.07 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 59.63 27.1 63.32 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.507 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.3 -29.6 9.94 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.544 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 28.5 t -73.14 149.6 8.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.826 0.346 . . . . 0.0 111.074 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.8 ttp180 -125.51 119.22 27.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -104.58 -32.68 8.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.966 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.421 ' CG ' ' HD3' ' A' ' 34' ' ' ARG . 33.6 p90 -171.61 -177.8 2.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 27.9 mm -117.68 144.25 26.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.025 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 28.4 p -168.31 151.48 5.5 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.947 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.47 171.34 0.21 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.52 2.147 . . . . 0.0 112.291 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.34 117.5 3.69 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.596 2.197 . . . . 0.0 112.247 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 42.2 mttp 60.19 102.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -172.2 -41.67 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.981 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.54 102.49 0.89 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.424 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.9 tp -104.93 127.82 52.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.824 0.345 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -103.9 122.37 45.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.857 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -141.25 179.55 6.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.135 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.5 m -94.16 146.75 23.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 16.5 m -57.63 -30.19 36.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.211 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 93.9 p -60.11 -30.22 69.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.025 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.0 mttm -102.08 32.51 3.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.976 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.458 HD13 HG21 ' A' ' 83' ' ' ILE . 40.2 mt -146.06 145.02 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.167 179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.7 t -121.77 172.4 8.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.94 123.36 32.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.938 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -73.77 159.06 33.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.03 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 24.7 t -73.83 106.82 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -117.44 116.14 26.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.951 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -94.12 -54.21 3.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.69 35.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 79.0 92.22 0.35 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.526 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -68.81 107.92 1.78 Allowed 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.54 2.16 . . . . 0.0 112.314 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.86 135.9 36.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.82 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 12.9 p -97.86 -178.5 4.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.383 -1.232 . . . . 0.0 112.473 179.989 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.179 0 N-CA-C 112.54 -0.224 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.3 p 58.61 -176.48 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.897 0.379 . . . . 0.0 110.921 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -84.43 -54.54 4.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.82 -59.8 0.34 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.619 -0.8 . . . . 0.0 112.48 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.6 t -115.29 -58.32 2.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.826 0.346 . . . . 0.0 110.89 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.7 t -133.72 -59.73 0.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.36 -133.48 4.75 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.436 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.01 -119.93 5.92 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.434 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -109.52 162.39 14.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.796 0.332 . . . . 0.0 110.852 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.9 tp -90.72 -39.85 12.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.973 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.34 -47.06 29.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 83.8 mt -61.01 -31.86 71.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.94 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 63.5 p -59.78 -30.78 69.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.979 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.81 -39.08 17.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.16 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.0 mt -70.04 -30.83 68.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.967 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.01 27.7 33.34 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.446 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 tp -123.64 164.72 18.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.837 0.351 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -125.42 148.76 48.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.773 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.2 mt -58.16 151.64 18.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.28 -28.46 15.64 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.483 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.26 170.49 16.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.821 0.343 . . . . 0.0 110.862 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -92.27 160.57 15.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 19.3 m -133.94 160.93 41.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 21.8 tp -95.95 121.13 37.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.817 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 21.5 mt -105.66 113.1 26.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.028 -179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 56.28 24.16 7.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.343 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 54.3 41.2 70.46 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.699 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -155.88 -48.68 0.08 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.823 0.344 . . . . 0.0 110.885 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.45 142.31 29.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.952 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.1 p -112.46 134.33 54.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -132.95 -174.06 13.49 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.461 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.7 m -124.2 122.82 38.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.875 0.369 . . . . 0.0 110.982 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 21.9 tp -68.33 123.76 21.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -113.12 -58.95 2.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -117.09 158.8 23.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.3 t -154.45 148.43 25.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 122.23 -146.25 16.8 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.512 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -106.42 141.46 37.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.848 0.356 . . . . 0.0 110.949 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 34.9 p -83.89 -178.31 6.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -105.26 -40.68 5.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.973 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.411 ' CD1' ' HB3' ' A' ' 42' ' ' ALA . 47.7 p90 -68.45 -31.53 70.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.936 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.411 ' HB3' ' CD1' ' A' ' 41' ' ' PHE . . . -131.36 -173.59 3.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.116 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 24.4 p -128.64 143.43 50.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 129.5 169.72 12.6 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.502 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -79.13 101.42 7.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.751 0.31 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -109.6 153.79 23.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.949 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 16.8 m -143.51 127.09 13.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -80.54 121.91 5.57 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.474 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.6 t -120.69 132.03 71.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.802 0.334 . . . . 0.0 111.133 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -95.65 115.03 26.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 18.5 mt -61.29 115.41 3.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.934 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.18 -31.38 70.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.934 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -94.77 161.51 28.42 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.998 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.56 83.73 0.82 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.547 2.164 . . . . 0.0 112.274 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -160.02 173.66 15.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.956 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 115.72 177.24 18.45 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.601 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.02 31.46 2.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.783 0.325 . . . . 0.0 110.801 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -145.28 167.98 21.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.852 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -129.48 26.01 5.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.031 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 94.34 -24.86 25.35 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.619 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 t -115.08 141.1 48.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.812 0.339 . . . . 0.0 110.978 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.6 t -123.19 113.52 38.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 63.83 -90.57 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.526 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -129.13 23.03 4.99 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.583 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.1 t -128.75 129.61 68.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.833 0.349 . . . . 0.0 110.971 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 34.3 ttm-85 -111.94 134.1 53.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.935 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -115.06 -42.14 3.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 30.1 p90 -159.22 -177.72 6.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.76 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 15.5 mt -126.19 142.77 41.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 8.7 p -161.1 160.84 24.52 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.6 172.06 0.18 Allowed 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.604 2.203 . . . . 0.0 112.253 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.29 106.26 0.14 Allowed 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.51 2.14 . . . . 0.0 112.343 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt 60.63 83.62 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.953 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.65 28.28 0.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.941 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -158.54 149.14 19.18 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.488 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -150.51 149.76 30.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.781 0.324 . . . . 0.0 110.946 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -106.07 123.88 48.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -132.54 179.58 6.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.17 160.27 14.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 17.3 m -58.35 -34.57 50.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.165 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 31.7 t -67.51 -27.13 66.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.956 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.27 22.95 7.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.135 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 28.3 mt -150.72 156.47 6.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.033 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.5 m -135.22 141.23 45.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -60.35 123.0 15.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -84.38 96.88 9.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.044 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.9 t -65.85 94.81 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.043 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -134.94 -46.9 0.72 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -109.06 90.25 3.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.078 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.93 -49.19 68.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.875 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -162.4 -176.8 34.86 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.554 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.17 -34.89 60.72 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.588 2.192 . . . . 0.0 112.326 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.61 136.3 6.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.82 94.31 4.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.344 -1.253 . . . . 0.0 112.497 -179.967 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.153 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.4 t -132.03 151.31 51.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.785 0.326 . . . . 0.0 110.941 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -165.55 133.79 3.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.828 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.9 26.12 16.64 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.538 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 p -161.72 29.68 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.736 0.303 . . . . 0.0 110.936 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.0 t -179.65 72.49 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.829 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.14 -37.4 1.66 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -144.53 179.68 21.58 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.471 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -134.02 107.03 7.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.823 0.344 . . . . 0.0 110.965 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.1 tp -98.53 -48.23 5.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.933 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -42.34 94.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.7 mt -73.35 -37.01 66.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.4 m -64.5 -39.08 93.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.03 -50.69 65.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.101 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.5 mt -64.07 -67.16 0.45 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 131.63 43.42 0.17 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.49 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 tp -139.05 154.03 48.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.812 0.339 . . . . 0.0 110.902 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.1 mtt-85 -115.02 149.55 37.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 70.0 mt -59.09 167.92 1.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.916 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.94 19.4 50.33 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.649 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -108.25 167.34 10.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.841 0.353 . . . . 0.0 110.918 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.16 154.99 16.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.3 m -138.12 169.25 18.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.152 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.5 tp -110.89 113.82 26.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.908 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 79.9 mt -90.5 123.1 33.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 61.27 28.05 17.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.98 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 56.84 27.21 55.85 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.585 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 -152.26 -64.68 0.17 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.833 0.349 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.56 152.91 24.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.821 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.7 p -114.56 132.09 56.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -140.96 155.97 25.26 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.546 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.14 128.67 53.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.362 . . . . 0.0 110.874 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 8.9 tp -77.24 147.64 36.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.816 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.422 ' HD3' ' CG ' ' A' ' 68' ' ' PHE . 12.0 mtp180 -142.11 -46.84 0.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -113.66 150.17 33.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 30.4 p -142.75 143.0 32.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 112.39 178.56 19.82 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.525 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 73.7 p -59.1 162.19 4.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.724 0.297 . . . . 0.0 110.966 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.7 p -104.89 -178.88 3.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.86 -28.02 13.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -113.58 37.77 3.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.991 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -174.68 160.65 3.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.18 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 12.5 t -104.45 150.54 24.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 95.39 178.45 37.05 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.448 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -82.68 130.91 35.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.81 0.338 . . . . 0.0 110.959 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 25.2 m95 -129.34 161.61 29.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 8.5 m -146.41 130.65 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.108 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -77.55 122.39 6.08 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.443 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.4 t -122.64 144.58 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.348 . . . . 0.0 111.16 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -112.14 110.0 20.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.82 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 56.1 mt -59.99 143.52 51.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -79.47 -53.28 7.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -74.2 156.59 87.46 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.8 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -59.58 80.91 0.06 OUTLIER 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.616 2.211 . . . . 0.0 112.281 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -151.98 138.85 18.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.818 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 149.31 171.76 18.27 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.462 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.5 tptp -141.92 31.59 1.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.805 0.336 . . . . 0.0 110.855 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -159.32 163.26 35.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -106.38 33.05 4.05 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.94 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.414 ' HA3' ' CE2' ' A' ' 68' ' ' PHE . . . 65.07 28.53 73.65 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.478 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 35.7 t -157.56 160.38 38.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.803 0.335 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.4 t -130.6 156.99 42.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.085 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -59.73 90.76 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.452 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 127.7 -28.68 4.39 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.461 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.6 t -137.7 130.15 41.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.809 0.337 . . . . 0.0 111.16 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.3 ttm105 -107.66 113.21 26.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -84.51 -43.62 14.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.422 ' CG ' ' HD3' ' A' ' 34' ' ' ARG . 15.8 p90 -169.09 178.21 4.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.915 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 1.3 pp -119.68 140.12 44.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.056 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 10.1 p -163.27 161.2 18.28 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.943 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_exo -51.74 167.96 0.38 Allowed 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.566 2.178 . . . . 0.0 112.233 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -60.94 123.39 12.85 Favored 'Trans proline' 0 C--N 1.345 0.395 0 C-N-CA 122.534 2.156 . . . . 0.0 112.215 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.82 88.77 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -165.86 -42.91 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -71.27 135.11 23.6 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.503 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -141.18 134.71 29.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.814 0.34 . . . . 0.0 110.866 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -101.92 140.77 35.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.827 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -159.64 176.31 12.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.159 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 51.1 m -99.91 157.51 16.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.2 m -56.85 -28.35 28.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.298 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 29.9 p -62.04 -30.75 71.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.958 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -106.49 27.85 8.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.067 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 37.0 mt -148.82 139.01 16.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.977 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.23 177.3 4.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.5 mtmt -94.63 44.58 1.11 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.978 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . 58.75 171.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.7 t -80.54 90.62 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.115 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.7 p30 -125.03 -177.29 3.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.939 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.43 77.64 3.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 21.4 t -87.14 126.18 34.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -107.51 91.81 0.72 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.512 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -69.09 129.01 17.51 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.561 2.174 . . . . 0.0 112.353 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.9 m -98.34 34.84 1.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.964 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 24.0 p -95.99 -31.16 13.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.086 0 CA-C-O 118.384 -1.231 . . . . 0.0 112.498 -179.973 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.274 0 N-CA-C 112.575 -0.21 . . . . 0.0 112.575 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.26 142.16 33.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.799 0.333 . . . . 0.0 110.942 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 p -167.91 176.85 5.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.49 157.35 16.58 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.538 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.48 112.42 16.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.852 0.358 . . . . 0.0 110.899 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -142.69 174.8 10.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.48 29.22 5.97 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.457 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -68.11 -39.79 88.48 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.563 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 62.6 m-20 -148.23 119.04 7.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.892 0.377 . . . . 0.0 110.88 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.5 tp -90.64 -63.69 1.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 74.0 mmm -92.97 -29.33 15.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.923 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 62.3 mt -58.05 -31.61 67.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.58 -31.59 47.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.88 -46.04 15.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.158 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 47.9 mt -61.04 -63.36 1.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.955 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 128.73 42.24 0.25 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.508 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 18.2 tp -154.94 149.19 26.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.836 0.35 . . . . 0.0 110.835 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.8 mtt-85 -115.61 167.68 10.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.835 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -75.55 148.54 38.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.04 -33.7 6.36 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.582 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.43 167.12 22.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.863 0.364 . . . . 0.0 110.799 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.4 mtt-85 -85.96 158.39 19.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.941 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 23.2 m -134.59 156.37 40.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.138 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.6 tp -99.3 116.49 31.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 25.5 mt -102.43 121.74 42.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 59.68 25.4 14.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.034 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 55.58 50.43 60.48 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.701 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.85 -70.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.841 0.353 . . . . 0.0 110.962 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.4 135.12 55.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.69 144.83 25.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -142.41 167.68 26.06 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.519 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.87 123.24 45.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.83 0.348 . . . . 0.0 110.868 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.6 tp -64.27 137.32 57.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.2 mmp_? -131.41 -46.08 0.99 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.447 ' CD1' ' N ' ' A' ' 36' ' ' CYS . 47.8 t80 -139.71 156.81 46.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.447 ' N ' ' CD1' ' A' ' 35' ' ' PHE . 49.6 t -148.87 149.02 30.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 116.89 -145.37 18.69 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.467 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 58.8 p -80.92 -178.76 7.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.788 0.327 . . . . 0.0 110.943 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -138.86 -177.91 5.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -98.56 -32.33 11.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.909 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 9.1 p90 -106.66 28.06 8.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.968 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -166.57 158.15 13.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.092 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 28.8 t -126.29 119.88 28.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 137.37 -131.29 5.47 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.462 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -111.38 122.3 47.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.808 0.337 . . . . 0.0 110.917 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 91.4 m95 -145.99 149.86 34.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.3 m -142.69 146.86 21.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.162 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -94.14 119.68 6.11 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.53 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.4 t -121.75 141.9 40.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.908 0.385 . . . . 0.0 111.119 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -105.23 112.42 25.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 37.1 mt -63.98 131.2 46.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.021 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -70.64 -33.16 70.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.826 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.49 154.7 79.03 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -67.48 66.51 0.76 Allowed 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.54 2.16 . . . . 0.0 112.254 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -157.24 146.8 20.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 179.23 -149.42 8.76 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.497 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.81 -46.23 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.823 0.344 . . . . 0.0 110.948 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -104.1 158.85 16.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.948 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -101.67 24.96 9.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 95.43 -32.93 5.81 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.675 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 t -112.39 139.09 48.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.806 0.336 . . . . 0.0 111.003 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.9 t -152.26 142.37 15.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 58.86 23.85 56.91 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.623 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 95.67 -32.27 6.44 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.527 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.5 t -80.4 138.66 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.846 0.355 . . . . 0.0 111.152 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.4 ttt85 -111.6 118.98 37.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -88.5 -33.65 17.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.906 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 32.2 p90 -175.96 -179.25 1.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.904 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.2 pt -119.05 135.06 60.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.072 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 30.8 p -161.05 160.74 24.65 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_exo -51.26 167.62 0.33 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.531 2.154 . . . . 0.0 112.295 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -60.37 125.05 16.42 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.601 2.2 . . . . 0.0 112.156 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.3 mtmm 61.82 88.91 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.797 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -166.59 -42.53 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.986 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.3 111.82 4.26 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.528 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.38 141.05 52.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.845 0.355 . . . . 0.0 110.907 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -104.81 137.21 42.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -146.59 166.55 26.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.64 149.51 26.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 17.8 m -57.45 -37.64 58.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.246 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.4 t -65.02 -24.94 67.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.093 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -97.14 27.56 4.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.157 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.488 HD13 HG22 ' A' ' 83' ' ' ILE . 34.2 mt -149.96 143.12 17.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.105 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.3 m -119.35 179.67 4.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.05 122.22 32.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.971 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -112.22 75.77 0.94 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.076 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 23.0 m -98.7 143.4 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.148 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.6 t70 60.69 178.73 0.1 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -148.03 34.26 0.82 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.159 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 29.3 t -124.31 155.56 38.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -94.75 -167.63 36.41 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.529 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.25 -28.95 22.27 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.589 2.192 . . . . 0.0 112.302 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -94.5 -48.62 6.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.7 t 60.79 86.77 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.398 -1.223 . . . . 0.0 112.531 179.985 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.18 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.9 m -109.67 -53.51 2.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.903 0.383 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.21 -77.82 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.943 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.51 32.63 6.53 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.514 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -99.13 -60.5 1.52 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.779 0.323 . . . . 0.0 110.87 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.8 t -159.15 90.78 0.99 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.957 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.79 93.64 1.86 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.494 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -95.72 -55.97 1.28 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.527 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 61.09 -166.6 0.2 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.783 0.325 . . . . 0.0 110.803 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -97.45 -69.9 0.74 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.068 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 7.4 mmt -70.23 -35.2 73.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.054 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.4 mt -57.85 -35.27 70.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.969 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 97.1 p -66.71 -32.25 73.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.931 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.53 -31.36 47.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.055 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.4 mt -84.19 -49.88 8.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.861 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.89 39.79 2.26 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.468 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.9 tp -132.49 166.24 22.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.768 0.318 . . . . 0.0 110.877 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.9 mtt180 -125.15 156.95 37.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 94.5 mt -64.79 106.1 1.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 144.49 -27.98 1.94 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.596 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -72.45 173.28 9.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.915 0.388 . . . . 0.0 110.853 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.52 155.11 17.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 26.2 m -140.34 156.76 24.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.101 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.4 tp -96.09 119.2 34.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.88 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 33.3 mt -102.21 118.91 37.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 t70 60.59 26.84 16.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 55.62 26.97 47.61 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.522 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -144.35 -71.43 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.841 0.353 . . . . 0.0 110.837 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.7 171.0 5.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.7 p -140.87 143.12 34.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -149.96 177.25 28.21 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.484 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.7 m -111.3 132.89 54.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.789 0.328 . . . . 0.0 110.838 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 19.7 tp -71.89 131.15 42.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.3 mtp180 -125.33 -44.4 1.87 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.4 ' CD2' ' N ' ' A' ' 36' ' ' CYS . 70.0 t80 -122.27 162.12 22.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.939 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.4 ' N ' ' CD2' ' A' ' 35' ' ' PHE . 2.4 t -157.7 136.18 11.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 128.41 -154.42 19.98 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.521 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.9 t -65.96 -171.17 0.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.823 0.344 . . . . 0.0 110.961 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -145.26 -177.25 5.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.9 -31.54 17.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -105.61 31.14 5.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -175.66 160.5 2.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 96.8 p -110.01 -30.6 7.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.32 -163.57 0.1 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.525 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -87.89 136.69 32.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.836 0.35 . . . . 0.0 110.882 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 49.2 m95 -143.52 168.43 19.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 30.9 m -151.1 138.28 13.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.061 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -96.47 121.16 6.89 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.549 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.0 t -127.03 145.86 33.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.883 0.373 . . . . 0.0 111.047 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -101.86 111.58 23.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 6.7 mt -63.87 123.72 19.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -60.83 -31.42 70.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.95 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -83.39 160.26 59.9 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.1 62.67 2.56 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.624 2.216 . . . . 0.0 112.313 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -156.74 157.16 34.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 153.13 -33.53 0.79 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.534 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.23 34.36 20.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.804 0.335 . . . . 0.0 110.913 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -155.01 143.42 20.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -108.78 34.4 3.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.51 28.41 71.21 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.555 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.9 t -152.45 149.09 28.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.856 0.36 . . . . 0.0 110.909 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.5 t -150.41 118.35 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.094 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 63.04 -121.34 24.44 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.454 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -103.49 29.58 12.01 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.546 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.5 t -133.77 152.21 34.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.856 0.36 . . . . 0.0 111.104 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.7 ttm-85 -126.33 153.09 45.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -127.32 -45.14 1.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 23.6 p90 -171.45 165.22 7.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 23.2 pt -105.28 129.76 57.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.062 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 25.8 p -152.06 161.25 29.96 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_exo -51.47 168.08 0.32 Allowed 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.533 2.156 . . . . 0.0 112.203 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -56.03 114.55 1.95 Allowed 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.568 2.179 . . . . 0.0 112.162 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 21.0 mttt 62.5 96.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -159.82 -45.5 0.05 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.9 162.02 39.58 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.51 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 15.1 tp -160.01 119.85 2.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.855 0.359 . . . . 0.0 110.827 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -99.49 133.15 44.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -156.4 179.98 8.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.05 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 25.0 m -87.28 152.62 22.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 10.3 m -59.76 -30.75 45.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.126 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.31 -30.86 69.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.951 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -97.99 27.48 4.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.01 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.448 HD13 HG23 ' A' ' 83' ' ' ILE . 22.4 mt -150.5 146.86 16.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.034 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 68.3 m -124.08 179.42 4.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -96.82 41.37 1.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.83 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . 61.03 164.19 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.087 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.5 t -75.54 110.35 10.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.177 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 24.3 p-10 -126.08 78.72 1.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.845 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -109.05 -20.68 12.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.338 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.87 97.54 0.05 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.775 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 173.43 -53.28 0.16 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.446 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.3 -30.22 41.71 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.616 2.21 . . . . 0.0 112.274 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 38.6 p -101.4 130.21 47.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.827 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.51 -42.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.385 -1.231 . . . . 0.0 112.46 -179.979 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.215 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.7 t 60.23 31.62 20.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.896 0.379 . . . . 0.0 110.881 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.6 p -79.73 80.16 6.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.04 -132.83 1.6 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.492 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -67.92 87.6 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.781 0.324 . . . . 0.0 110.94 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.7 t -115.87 163.68 15.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.35 106.66 1.8 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.508 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -161.71 88.45 0.11 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.536 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -84.89 97.26 9.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.861 0.362 . . . . 0.0 110.821 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.3 mp -82.39 -69.46 0.62 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -84.7 -30.98 24.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.4 mt -59.76 -33.49 71.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.762 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.4 t -76.05 -38.15 57.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.97 -31.01 70.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.182 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.8 mt -93.43 -61.54 1.54 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 123.62 40.16 0.47 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.433 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.6 tp -138.77 158.97 43.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.882 0.372 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -128.7 159.11 36.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 50.6 mt -62.84 149.42 44.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.65 -30.86 8.54 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.462 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -74.99 154.96 37.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.784 0.326 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -86.64 156.84 19.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.739 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.4 m -141.15 178.83 2.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.102 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.5 tp -119.65 117.25 27.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.932 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 13.1 mt -98.17 131.3 44.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.824 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 59.72 25.5 14.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.036 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 54.97 41.72 78.07 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.579 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -164.99 -68.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.864 0.364 . . . . 0.0 110.919 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.43 144.77 56.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 43.8 p -112.52 138.68 48.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -146.12 -178.44 21.56 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.507 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 64.7 m -123.91 126.06 45.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.812 0.339 . . . . 0.0 110.874 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.0 tp -67.9 114.77 6.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.409 ' HB3' ' CD1' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -105.19 -36.51 7.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -135.28 160.16 39.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.805 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 24.4 t -159.66 147.52 17.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.942 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 119.79 -168.26 13.61 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.484 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.0 t -71.37 -171.27 0.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.838 0.352 . . . . 0.0 110.882 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 21.4 p -135.57 175.92 9.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -109.41 28.24 8.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 19.6 p90 -161.33 29.07 0.13 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.964 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -177.76 137.17 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.084 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.4 m -91.18 84.27 5.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.845 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -176.79 -163.89 29.79 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.529 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -109.4 136.5 48.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.858 0.361 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 81.7 m95 -143.35 162.52 35.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.961 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 5.4 m -151.21 128.59 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -85.02 125.05 7.02 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.52 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.3 t -133.32 133.03 58.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.894 0.378 . . . . 0.0 111.131 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -81.35 132.46 35.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.802 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 92.3 mt -84.27 123.19 29.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.972 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -58.01 -49.01 78.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.937 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -84.01 161.43 55.31 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.815 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -68.44 78.47 0.65 Allowed 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.481 2.121 . . . . 0.0 112.283 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -142.02 165.36 27.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.809 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 109.59 -172.77 16.31 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.546 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -153.9 32.03 0.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.851 0.357 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 53.7 m-80 -151.63 141.84 22.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -101.48 31.47 3.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 85.78 28.69 28.44 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.512 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 73.9 p -149.75 117.77 6.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.85 0.357 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.7 t -119.93 122.88 69.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.142 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 59.71 -124.75 37.22 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.448 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -105.76 32.2 7.65 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.472 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.5 t -141.99 121.81 10.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.81 0.338 . . . . 0.0 111.106 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.0 ttp-105 -100.04 141.13 33.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -113.9 -43.89 3.22 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.981 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.409 ' CD1' ' HB3' ' A' ' 34' ' ' ARG . 49.8 p90 -165.47 -176.47 3.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.976 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 26.3 mt -120.02 154.09 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.138 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 4.9 p -171.11 157.88 5.02 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo -57.63 171.92 1.26 Allowed 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.657 2.238 . . . . 0.0 112.311 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_exo -51.95 119.02 5.08 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.589 2.192 . . . . 0.0 112.485 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt 58.26 76.18 0.35 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.076 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -157.17 26.2 0.31 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.072 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -144.59 116.48 0.95 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.477 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.0 tp -123.68 144.79 49.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.935 0.398 . . . . 0.0 110.82 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -121.71 126.62 49.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -150.69 -179.97 7.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.142 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 m -85.96 158.38 19.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 10.3 m -61.61 -30.84 49.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.087 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 29.5 t -61.11 -27.82 68.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.981 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.9 mttp -97.75 30.32 3.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.019 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.437 HG21 HD12 ' A' ' 83' ' ' ILE . 24.2 mt -149.88 148.65 15.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.034 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 84.2 p -134.56 146.82 50.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.23 131.44 50.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.926 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -97.11 39.11 1.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.095 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.5 t -114.68 129.87 70.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.077 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -74.33 -179.2 3.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -156.34 -56.48 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.069 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.54 86.7 1.68 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 77.0 149.57 3.31 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.478 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -52.68 139.3 58.35 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.641 2.228 . . . . 0.0 112.343 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 34.0 t -137.03 92.34 2.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.3 m -112.66 98.01 6.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.356 -1.247 . . . . 0.0 112.443 -179.979 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.205 0 N-CA-C 112.542 -0.223 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -152.08 160.38 43.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.779 0.323 . . . . 0.0 110.894 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.0 m -78.37 173.46 12.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.836 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.95 104.25 1.52 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.481 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.0 t 60.63 50.95 5.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.925 0.393 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.7 m 62.79 -80.23 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.004 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.97 93.17 0.11 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.539 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -107.72 -101.22 2.7 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.515 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 60.64 94.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.797 0.332 . . . . 0.0 110.948 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.7 tt -99.88 -55.22 2.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 8.3 tpt -75.77 -33.73 60.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.7 mt -70.85 -28.67 64.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.972 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.6 p -56.93 -30.31 63.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.86 -30.94 26.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.121 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 37.4 mt -72.36 -53.92 10.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 116.62 33.64 1.4 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.528 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 tp -143.99 148.33 35.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.837 0.351 . . . . 0.0 110.932 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -99.16 172.66 7.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 85.3 mt -82.72 145.93 29.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.59 -29.37 10.48 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.481 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -69.31 150.89 46.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.762 0.315 . . . . 0.0 110.966 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.8 149.46 41.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.9 m -134.27 167.31 26.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.131 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.7 tp -107.95 100.87 10.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 35.6 mt -75.41 126.26 30.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 59.9 23.48 12.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.126 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 54.44 51.71 49.72 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.719 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -176.21 -49.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.884 0.373 . . . . 0.0 110.939 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -82.0 143.13 31.8 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 40.6 p -99.26 118.49 36.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.944 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -130.17 138.74 10.42 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.43 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 63.1 m -88.49 116.39 26.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.801 0.334 . . . . 0.0 110.964 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.1 tp -75.04 147.05 41.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.801 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.6 mmp_? -135.84 -46.62 0.66 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.992 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -121.85 155.49 35.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 30.6 p -148.77 134.69 19.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.84 -132.59 6.09 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.497 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.2 t -108.69 172.59 6.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.829 0.347 . . . . 0.0 110.845 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.1 p -111.19 179.22 4.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -103.23 -29.62 11.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.03 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.416 ' CD2' HG12 ' A' ' 62' ' ' VAL . 25.5 p90 -86.81 -29.69 22.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.958 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -129.69 -169.73 2.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.043 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.5 -178.86 5.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 86.63 -170.17 41.88 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.514 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -77.67 123.49 26.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.861 0.362 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 88.8 m95 -147.9 151.34 35.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.6 m -150.02 148.18 15.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.153 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -93.72 124.44 7.84 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.509 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.5 t -133.17 144.38 36.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.855 0.36 . . . . 0.0 111.114 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -104.85 118.37 36.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 84.7 mt -66.9 130.73 44.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.857 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -64.01 -40.28 96.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -79.24 160.97 69.57 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.57 64.19 2.27 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.551 2.167 . . . . 0.0 112.261 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -146.46 159.57 43.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 156.76 -165.25 33.01 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.472 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -154.9 30.4 0.41 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.806 0.336 . . . . 0.0 110.883 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -173.89 159.69 3.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -108.33 31.19 5.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 73.27 33.14 59.34 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.535 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.0 m -158.95 148.52 18.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.816 0.341 . . . . 0.0 110.913 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.416 HG12 ' CD2' ' A' ' 41' ' ' PHE . 21.5 t -141.69 107.08 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.185 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 59.6 -114.12 5.94 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.542 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -100.42 28.25 16.69 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.575 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.5 t -135.43 149.66 28.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.857 0.36 . . . . 0.0 111.07 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.25 131.28 27.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -102.84 -31.86 10.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 19.6 p90 -170.29 170.16 7.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.8 mt -109.37 115.64 50.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 30.7 p -141.39 160.97 55.16 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.974 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.34 168.7 0.9 Allowed 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.628 2.218 . . . . 0.0 112.225 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -62.54 119.84 7.11 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.54 2.16 . . . . 0.0 112.231 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.9 mtmt 62.14 88.03 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -160.85 -44.01 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -81.08 148.58 28.57 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.535 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.3 tp -143.9 149.19 36.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.815 0.341 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -109.19 126.87 53.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.839 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -139.56 167.68 21.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.075 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.7 m -81.08 147.54 30.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 7.3 m -59.0 -29.86 42.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.166 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.02 -29.45 70.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.001 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.4 mmpt? -98.58 31.73 2.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 35.7 mt -146.57 154.04 12.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.068 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.99 166.67 22.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.05 126.18 30.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -82.44 147.07 28.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.4 t -141.41 125.53 16.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.127 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -73.79 78.19 1.58 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -149.98 82.05 1.38 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.11 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.43 107.08 1.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.837 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 156.46 -145.28 11.9 Favored Glycine 0 CA--C 1.518 0.275 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.454 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -50.81 137.35 42.84 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.568 2.179 . . . . 0.0 112.315 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.5 p -160.33 153.3 21.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 68.13 -70.29 0.13 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.933 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.373 -1.237 . . . . 0.0 112.494 179.967 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.171 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -83.4 151.14 25.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.815 0.341 . . . . 0.0 110.903 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m 60.49 -176.46 0.11 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.35 -33.88 0.13 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.572 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.1 m -89.11 -55.04 3.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.805 0.335 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.4 t -72.1 102.34 2.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.85 39.47 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.477 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 166.39 -128.07 1.7 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.483 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -70.25 75.73 0.52 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.931 0.396 . . . . 0.0 110.892 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.4 tp -77.14 -66.08 0.87 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.872 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 44.0 mmm -86.77 -26.54 24.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.073 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 46.0 mt -56.31 -34.18 66.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.026 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 m -68.96 -31.37 70.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.86 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.53 -39.42 58.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.094 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mt -75.48 -57.4 3.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 119.6 38.09 0.74 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.489 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.8 tp -132.74 154.4 50.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.795 0.331 . . . . 0.0 110.867 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.4 mtm-85 -109.24 168.95 9.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.951 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.4 mt -73.15 149.22 43.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.16 -37.44 3.48 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.515 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.6 167.45 5.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.839 0.352 . . . . 0.0 110.866 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.7 mtm-85 -87.84 163.98 16.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.4 m -142.31 149.09 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.172 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.1 tp -94.56 108.54 20.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 44.2 mt -88.79 123.4 33.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.941 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 59.41 24.58 13.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.062 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 54.49 26.95 39.74 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.729 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -146.16 -52.92 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.817 0.341 . . . . 0.0 110.932 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.37 166.53 23.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.953 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.5 p -135.9 129.68 32.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.936 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -141.92 162.79 27.07 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.507 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.9 m -101.76 140.57 35.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 0.0 110.879 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 13.4 tp -83.49 147.71 27.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.424 ' HD3' ' CG ' ' A' ' 68' ' ' PHE . 3.3 mtp85 -142.55 -54.49 0.42 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.87 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -117.11 152.75 34.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 53.6 m -154.87 149.21 26.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 118.49 -142.25 16.76 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.55 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.1 p -91.11 166.04 13.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 111.015 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.424 ' HB ' ' CE2' ' A' ' 41' ' ' PHE . 11.7 p -109.35 170.83 7.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -107.52 46.55 0.93 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.429 ' CD1' ' N ' ' A' ' 42' ' ' ALA . 25.9 p90 -167.67 -42.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.994 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.429 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . -105.78 -31.99 8.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.082 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.0 m 60.43 98.13 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 169.32 178.92 40.92 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.444 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.6 mp0 -60.28 99.93 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.81 0.338 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 99.2 m95 -137.63 153.14 49.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 18.2 m -147.48 136.53 15.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.121 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -86.15 116.95 4.49 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.464 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.5 t -123.74 130.49 73.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.86 0.362 . . . . 0.0 111.159 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -93.95 120.68 34.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 56.6 mt -75.45 132.52 40.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.47 -51.65 64.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -81.9 148.82 61.94 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -52.98 89.3 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.509 2.14 . . . . 0.0 112.326 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -157.36 130.31 7.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 157.21 172.39 24.37 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.444 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.7 mtmm -131.58 29.57 4.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.867 0.365 . . . . 0.0 110.953 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.6 m-80 -152.63 174.84 13.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -128.08 24.02 6.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.045 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 95.39 -29.13 10.01 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.617 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.8 m -117.65 135.92 53.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.759 0.314 . . . . 0.0 110.966 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 30.4 t -128.35 122.48 57.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.059 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 65.79 -102.24 0.68 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.46 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -127.41 28.08 4.59 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.498 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.4 t -133.46 132.05 57.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.84 0.352 . . . . 0.0 111.128 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 -105.24 123.21 47.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -99.78 -37.81 8.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.821 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.424 ' CG ' ' HD3' ' A' ' 34' ' ' ARG . 13.3 p90 -174.59 170.58 3.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 29.4 mt -110.59 115.65 50.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.084 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 31.5 p -142.66 160.36 53.96 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.948 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.78 169.09 0.9 Allowed 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.527 2.152 . . . . 0.0 112.108 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_endo -61.06 125.73 17.77 Favored 'Trans proline' 0 C--N 1.343 0.261 0 C-N-CA 122.549 2.166 . . . . 0.0 112.172 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.1 mttp 60.59 87.6 0.09 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -162.94 -43.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -67.86 131.55 28.52 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.485 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.5 tp -138.75 123.34 18.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.927 0.394 . . . . 0.0 110.928 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -104.31 102.35 12.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -118.98 179.32 4.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.01 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.8 m -88.41 155.27 19.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 10.6 m -59.76 -36.36 65.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.021 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.96 -25.44 66.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.083 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.6 mmmt -96.94 32.98 1.99 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.009 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.441 HD11 HG21 ' A' ' 83' ' ' ILE . 25.8 mt -148.22 155.33 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.111 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.5 t -133.02 159.57 39.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -67.44 132.5 47.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -84.71 170.75 12.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.162 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 22.1 t 68.13 -69.87 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.192 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 55.21 52.08 12.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.011 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . 68.13 -70.41 0.13 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.153 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.6 m 61.0 166.57 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -161.41 174.62 37.98 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.51 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.17 -30.02 39.71 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.557 2.171 . . . . 0.0 112.313 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.3 p -145.0 178.93 7.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 98.3 p -70.79 -48.36 54.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.402 -1.221 . . . . 0.0 112.447 -179.998 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 120.815 0.341 . . . . 0.0 111.074 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.579 HD22 ' HB3' ' A' ' 17' ' ' LEU . 18.3 mt -58.71 -40.11 82.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.051 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 60.5 p -58.46 -38.6 77.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.974 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.59 -33.0 62.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.9 mt -74.71 -49.08 22.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.919 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 119.14 37.06 0.83 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.468 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.579 ' HB3' HD22 ' A' ' 12' ' ' LEU . 13.0 tp -137.58 159.63 41.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.786 0.327 . . . . 0.0 110.933 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.2 mtm180 -129.81 174.47 9.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.441 HD22 ' O ' ' A' ' 34' ' ' ARG . 96.2 mt -76.64 152.42 35.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.72 -38.52 3.09 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.517 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -66.8 160.86 25.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.792 0.329 . . . . 0.0 110.857 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -99.45 157.74 16.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.2 m -136.12 164.57 31.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.482 HD12 HG22 ' A' ' 30' ' ' THR . 7.9 tp -96.98 114.43 26.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.811 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 80.9 mt -87.07 116.42 25.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 60.79 27.45 17.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.98 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.4 ' HA2' HD23 ' A' ' 24' ' ' LEU . . . 57.44 30.91 62.35 Favored Glycine 0 C--N 1.331 0.263 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.485 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -146.57 -69.68 0.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.83 0.348 . . . . 0.0 110.861 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.2 163.96 21.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.482 HG22 HD12 ' A' ' 24' ' ' LEU . 62.9 p -133.57 137.34 45.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.893 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -145.57 169.38 27.12 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.507 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.5 m -104.51 131.79 51.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.808 0.337 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.468 HD21 HD11 ' A' ' 12' ' ' LEU . 8.5 tp -71.73 140.55 49.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.441 ' O ' HD22 ' A' ' 19' ' ' LEU . 0.7 OUTLIER -139.77 -47.96 0.46 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.838 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -110.79 150.47 29.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.835 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 30.4 p -158.74 121.18 3.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 144.25 -140.68 9.54 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 29.4 p -87.9 -177.2 5.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.817 0.341 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -134.83 170.45 15.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -107.0 -45.55 4.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.926 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -72.48 -26.82 61.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.989 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -126.27 -168.7 1.9 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.972 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 38.6 p -129.72 176.42 8.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 81.53 -148.59 27.93 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.528 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -115.46 127.39 55.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.831 0.348 . . . . 0.0 110.923 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 57.7 m95 -134.59 175.28 9.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.525 HG22 ' O ' ' A' ' 78' ' ' ALA . 29.6 m -152.44 141.63 14.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.18 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -94.74 122.15 7.06 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.458 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.411 HG22 HD12 ' A' ' 33' ' ' LEU . 21.4 t -125.19 135.65 63.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.792 0.33 . . . . 0.0 111.222 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -95.72 126.76 41.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.657 HD12 ' HA2' ' A' ' 56' ' ' GLY . 79.5 mt -71.87 124.11 24.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.946 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -65.25 -58.1 6.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.0 164.78 9.57 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.98 72.4 1.55 Allowed 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.53 2.153 . . . . 0.0 112.278 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -154.06 169.67 22.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.657 ' HA2' HD12 ' A' ' 51' ' ' LEU . . . 149.6 -169.94 29.8 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.565 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.3 ttmm -139.59 -58.88 0.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.772 0.32 . . . . 0.0 110.936 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -101.54 158.37 16.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.942 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.06 39.57 1.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 61.6 28.33 69.58 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.465 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -144.48 119.59 10.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.776 0.322 . . . . 0.0 110.918 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.5 t -124.67 110.76 25.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.104 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 59.49 -118.78 15.48 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.509 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -100.77 26.19 25.55 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.531 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 30.3 t -128.57 133.01 67.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.886 0.374 . . . . 0.0 111.055 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -115.74 135.43 54.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -113.36 -38.32 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 24.0 p90 -177.13 150.71 0.76 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.5 mp -98.79 99.11 8.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.108 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 30.8 p -113.54 160.32 32.14 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.17 178.4 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.636 2.224 . . . . 0.0 112.329 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.26 105.9 0.13 Allowed 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.652 2.235 . . . . 0.0 112.337 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? 59.44 85.96 0.1 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.981 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -152.08 27.31 0.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -139.73 133.97 6.37 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.51 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.3 tt -140.05 133.06 29.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.815 0.34 . . . . 0.0 110.944 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -103.4 136.73 42.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.525 ' O ' HG22 ' A' ' 47' ' ' VAL . . . -154.63 166.02 34.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.058 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -78.48 146.9 34.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.922 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.449 ' HA ' HD12 ' A' ' 83' ' ' ILE . 17.9 m -58.28 -30.56 40.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.133 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.2 t -63.62 -28.99 70.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -98.09 30.68 2.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.973 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.449 HD12 ' HA ' ' A' ' 80' ' ' VAL . 37.9 mt -139.92 152.64 22.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.049 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.2 m -129.32 156.97 43.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.951 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -80.46 111.85 17.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.903 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.077 -179.966 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.46 ' SD ' HG21 ' A' ' 80' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.858 0.361 . . . . 0.0 110.891 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.577 HD22 ' O ' ' A' ' 17' ' ' LEU . 14.9 mt -59.79 -31.43 69.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.3 p -68.16 -37.53 81.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.937 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.68 -33.68 74.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.411 HD11 HG11 ' A' ' 80' ' ' VAL . 29.3 mt -87.94 -34.27 18.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.14 41.69 17.24 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.509 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.577 ' O ' HD22 ' A' ' 12' ' ' LEU . 6.8 tp -124.99 155.21 40.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.782 0.325 . . . . 0.0 110.902 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.3 mtt-85 -114.05 150.12 34.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 19.3 mt -60.27 148.84 35.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.36 -36.57 4.32 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.452 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -69.46 152.01 45.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.838 0.351 . . . . 0.0 110.885 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.1 mpp_? -79.94 162.54 24.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.3 m -147.42 148.31 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.16 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 24' ' ' LEU . 7.9 tp -84.81 119.27 25.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.626 HD21 HG11 ' A' ' 49' ' ' VAL . 17.2 mt -102.54 126.37 49.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.2 t0 59.26 22.68 11.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.1 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 54.03 52.93 40.06 Favored Glycine 0 CA--C 1.518 0.277 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.689 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -176.75 -47.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.78 0.324 . . . . 0.0 110.96 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -82.27 160.2 22.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 47.4 p -128.23 123.95 35.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.89 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -135.41 179.07 18.1 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.51 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.9 m -115.61 144.63 43.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.822 0.344 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.536 HD21 ' SG ' ' A' ' 36' ' ' CYS . 12.3 tp -80.03 120.52 24.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.423 ' HD3' ' CG ' ' A' ' 68' ' ' PHE . 4.6 mtp180 -118.45 -45.28 2.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.02 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -128.34 146.18 50.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.536 ' SG ' HD21 ' A' ' 33' ' ' LEU . 62.3 m -151.21 123.04 8.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.969 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 158.02 -134.22 3.8 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.516 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.0 p -117.66 -175.86 2.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.865 0.364 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 16.9 p -119.68 178.83 4.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.948 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -113.11 -36.31 5.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.475 ' CZ ' HG11 ' A' ' 62' ' ' VAL . 26.3 p90 -72.24 -30.33 64.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -134.79 173.38 11.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.078 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 83.1 p -112.4 138.77 48.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.959 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 141.7 -166.18 26.28 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.478 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -112.73 121.35 44.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.824 0.345 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 37.0 m95 -131.68 164.85 25.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.607 HG22 ' O ' ' A' ' 78' ' ' ALA . 11.7 m -148.36 131.59 7.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.164 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -86.93 122.35 6.11 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.452 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.626 HG11 HD21 ' A' ' 25' ' ' LEU . 29.2 t -127.4 130.68 70.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.797 0.332 . . . . 0.0 111.12 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -88.31 121.05 30.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 16.4 mt -71.59 139.13 49.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.92 -67.73 0.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.97 164.07 61.75 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.836 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -66.94 80.22 0.36 Allowed 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.52 2.147 . . . . 0.0 112.289 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -144.58 161.94 37.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 127.55 -154.5 19.64 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.545 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.73 -46.88 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.804 0.335 . . . . 0.0 110.893 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 75.4 m-80 -90.58 150.87 21.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.948 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -98.75 35.78 1.79 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 84.44 28.57 32.61 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.544 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.03 158.11 43.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.794 0.33 . . . . 0.0 110.87 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.475 HG11 ' CZ ' ' A' ' 41' ' ' PHE . 21.5 t -144.85 101.66 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.174 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 65.44 -102.7 0.7 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.478 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -117.99 28.82 6.8 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.505 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.5 t -135.75 116.61 18.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.765 0.317 . . . . 0.0 111.098 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -101.36 140.63 35.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.411 ' CD1' ' N ' ' A' ' 67' ' ' TYR . 4.9 m-85 -118.05 -40.79 2.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.423 ' CG ' ' HD3' ' A' ' 34' ' ' ARG . 25.8 p90 -158.12 -178.74 7.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.947 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.9 mp -131.43 118.4 39.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.055 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 31.8 p -131.03 160.54 66.39 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.946 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_exo -52.0 177.89 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.491 2.127 . . . . 0.0 112.356 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.36 107.18 0.17 Allowed 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.534 2.156 . . . . 0.0 112.353 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.6 mtmt 59.74 86.48 0.09 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.005 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -158.08 29.97 0.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -144.94 140.93 9.5 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.431 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.0 tp -148.41 129.67 14.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.811 0.339 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -101.15 116.04 31.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.607 ' O ' HG22 ' A' ' 47' ' ' VAL . . . -132.17 177.21 7.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.188 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.73 148.55 27.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.46 HG21 ' SD ' ' A' ' 11' ' ' MET . 17.0 m -60.22 -28.95 42.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.234 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.1 t -64.02 -29.23 70.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.947 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 16.5 mttm -97.84 28.84 3.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.046 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.493 HD12 HG21 ' A' ' 47' ' ' VAL . 24.6 mt -148.94 146.16 17.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.102 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -134.77 175.51 9.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.51 132.39 41.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.11 -179.912 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.504 ' HB3' HG11 ' A' ' 80' ' ' VAL . 6.2 mtm . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.751 0.31 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.519 HD21 ' CD2' ' A' ' 33' ' ' LEU . 32.9 mt -61.07 -37.66 83.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 78.9 p -61.75 -41.15 97.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.939 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.54 -39.41 52.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.051 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 31.1 mt -68.23 -55.45 12.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 109.65 34.32 2.47 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.486 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 tp -139.67 162.62 34.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.826 0.346 . . . . 0.0 110.942 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.74 164.14 13.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.821 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.485 HD22 ' O ' ' A' ' 34' ' ' ARG . 16.3 mt -65.91 151.65 46.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.26 -37.5 3.43 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.537 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.33 151.28 28.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.871 0.367 . . . . 0.0 110.802 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.2 mtm-85 -86.91 153.37 21.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 13.3 m -137.45 174.44 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.047 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.518 HD23 ' HA2' ' A' ' 27' ' ' GLY . 12.0 tp -112.94 110.01 19.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.585 HD12 HD23 ' A' ' 51' ' ' LEU . 35.3 mt -83.07 128.85 34.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 60.0 26.47 15.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.015 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.518 ' HA2' HD23 ' A' ' 24' ' ' LEU . . . 55.95 31.28 58.39 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.556 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -153.94 -67.27 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.831 0.348 . . . . 0.0 110.96 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.01 159.48 9.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.945 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -119.72 133.38 55.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.848 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -145.45 157.57 27.39 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.559 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.3 m -107.8 128.93 55.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.893 0.378 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.55 HD11 ' HB ' ' A' ' 47' ' ' VAL . 19.4 tp -72.87 143.87 47.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.485 ' O ' HD22 ' A' ' 19' ' ' LEU . 10.3 mtp180 -136.46 -48.05 0.64 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.44 ' CD1' ' N ' ' A' ' 36' ' ' CYS . 61.8 t80 -121.88 161.04 23.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.952 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.44 ' N ' ' CD1' ' A' ' 35' ' ' PHE . 29.8 p -154.42 132.71 11.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.978 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 142.44 -158.12 26.83 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.476 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.0 p -89.23 158.46 17.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.838 0.352 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 73.2 p -113.17 174.51 5.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.822 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -83.19 -49.21 9.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.95 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 17.3 p90 -62.95 -31.59 72.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -136.98 139.15 41.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.073 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 37.2 m -104.48 105.24 15.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 170.63 -146.78 10.0 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.523 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.04 114.43 25.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.866 0.365 . . . . 0.0 110.856 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 87.0 m95 -144.01 142.5 30.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.55 ' HB ' HD11 ' A' ' 33' ' ' LEU . 16.0 m -139.56 128.98 29.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.173 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -77.87 128.3 8.76 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.439 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 18.9 t -137.78 134.21 45.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.884 0.374 . . . . 0.0 111.149 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -93.21 116.67 29.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.585 HD23 HD12 ' A' ' 25' ' ' LEU . 19.1 mt -65.3 140.71 58.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.35 -44.17 65.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.75 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -68.07 159.76 78.18 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.811 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.88 61.4 2.34 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.599 2.199 . . . . 0.0 112.349 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -142.55 148.88 38.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.811 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 171.76 -168.88 42.01 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.637 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.9 mttp -149.09 -45.9 0.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.771 0.319 . . . . 0.0 110.935 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 62.2 m-20 -98.41 147.32 24.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.963 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -103.03 30.56 4.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 97.06 -29.88 9.95 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.516 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 21.5 m -109.04 126.61 53.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.806 0.336 . . . . 0.0 110.964 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.7 t -134.8 125.25 45.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.069 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 59.0 25.86 60.15 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.557 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.02 -33.08 5.81 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.545 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.5 t -70.78 127.42 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.851 0.358 . . . . 0.0 111.172 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -93.32 146.5 23.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -131.69 -46.48 0.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.415 ' CG ' ' HD3' ' A' ' 34' ' ' ARG . 11.7 p90 -161.88 -177.55 5.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.7 mp -129.57 108.38 16.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 30.5 p -128.83 160.3 63.93 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.3 168.99 0.34 Allowed 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.554 2.169 . . . . 0.0 112.242 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.18 117.66 3.82 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.584 2.19 . . . . 0.0 112.305 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.6 mtpt 60.23 105.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.835 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -177.86 -38.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.97 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -69.97 116.97 7.13 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.458 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.443 HD13 HD11 ' A' ' 51' ' ' LEU . 9.5 tt -133.07 127.05 33.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.817 0.341 . . . . 0.0 110.924 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -95.67 128.57 42.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.903 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -138.97 151.51 46.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.044 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 58.6 m -67.52 145.8 54.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.504 HG11 ' HB3' ' A' ' 11' ' ' MET . 22.2 m -57.71 -29.31 34.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.209 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.1 m -59.55 -30.39 68.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.998 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 6.8 mttp -103.0 36.79 2.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.948 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 37.0 mt -147.36 137.71 17.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.108 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.71 135.4 52.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.85 128.34 36.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.162 179.937 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 5.6 mmt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.826 0.346 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.848 HD21 HD21 ' A' ' 33' ' ' LEU . 49.5 mt -58.8 -45.32 90.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.942 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.5 t -63.65 -47.16 82.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.68 -33.4 72.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.17 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.472 HD11 HG11 ' A' ' 80' ' ' VAL . 22.3 mt -77.01 -42.06 40.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.95 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.04 43.34 2.24 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.471 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.637 HD23 HD22 ' A' ' 33' ' ' LEU . 8.0 tp -137.45 156.49 48.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.897 0.379 . . . . 0.0 110.925 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -119.96 156.9 29.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.756 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.575 HD22 ' O ' ' A' ' 34' ' ' ARG . 44.9 mt -77.91 130.19 36.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 115.54 -32.0 5.91 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.527 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -72.1 153.75 41.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.84 0.353 . . . . 0.0 110.931 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.58 173.42 2.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.5 m -153.98 142.5 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.164 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.414 HD21 ' HA2' ' A' ' 27' ' ' GLY . 35.1 tp -91.55 114.93 27.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.839 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.551 HD23 HG23 ' A' ' 83' ' ' ILE . 14.8 mt -104.6 117.4 34.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.984 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 58.49 26.45 14.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.15 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.414 ' HA2' HD21 ' A' ' 24' ' ' LEU . . . 55.45 24.33 38.02 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.63 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -146.26 -59.55 0.31 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.838 0.352 . . . . 0.0 110.848 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.73 123.69 23.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -103.06 118.75 37.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -129.07 -169.62 12.61 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.529 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -130.86 126.09 35.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.801 0.334 . . . . 0.0 110.91 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.848 HD21 HD21 ' A' ' 12' ' ' LEU . 28.3 tp -62.36 138.87 58.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.575 ' O ' HD22 ' A' ' 19' ' ' LEU . 1.6 mmp_? -132.46 -46.6 0.9 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -129.97 159.4 36.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.714 ' HA ' HG12 ' A' ' 47' ' ' VAL . 52.4 t -156.62 145.97 20.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 125.36 -135.53 9.34 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.496 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -100.18 173.2 6.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.843 0.354 . . . . 0.0 110.861 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -132.3 -178.17 4.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -109.0 -33.86 6.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 14.7 p90 -85.43 -29.64 24.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.022 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -123.05 119.79 31.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.062 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.76 108.3 10.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 150.59 -161.46 28.99 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.543 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -96.29 127.21 42.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.875 0.369 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 68.5 m95 -145.57 161.89 38.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.968 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.714 HG12 ' HA ' ' A' ' 36' ' ' CYS . 3.8 m -141.62 130.09 22.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.095 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -77.77 121.49 5.79 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.41 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.5 t -128.94 146.25 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.852 0.358 . . . . 0.0 111.11 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -103.45 132.4 49.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.869 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.518 HD12 ' O ' ' A' ' 55' ' ' GLU . 82.9 mt -79.71 114.71 18.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.948 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -60.29 -36.64 78.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -75.41 160.37 79.87 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.47 63.53 1.63 Allowed 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.557 2.171 . . . . 0.0 112.287 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.518 ' O ' HD12 ' A' ' 51' ' ' LEU . 45.1 mt-10 -150.87 135.17 16.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.889 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 178.55 166.27 34.47 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.516 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.6 mttm -124.08 -55.25 1.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.849 0.357 . . . . 0.0 110.912 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -86.94 148.56 25.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.944 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -100.47 29.41 4.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 95.05 -38.31 3.16 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.547 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.6 p -95.57 133.01 40.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.784 0.326 . . . . 0.0 110.934 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.7 t -149.46 132.66 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.105 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 59.75 23.56 58.91 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.602 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 95.83 -31.17 7.49 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.604 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.8 t -78.84 151.74 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.807 0.337 . . . . 0.0 111.101 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -124.72 134.3 52.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -112.28 -37.87 4.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -163.83 178.63 7.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.912 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 19.4 mt -126.97 114.61 38.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 30.6 p -127.1 160.31 60.29 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.04 178.18 0.04 OUTLIER 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.695 2.263 . . . . 0.0 112.295 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.29 103.26 0.08 OUTLIER 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.652 2.235 . . . . 0.0 112.323 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.96 81.2 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -152.66 29.2 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.956 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -133.95 143.37 15.03 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.1 tp -153.51 139.64 18.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.824 0.345 . . . . 0.0 110.966 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -106.38 135.03 48.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.839 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.524 ' HB3' HD11 ' A' ' 83' ' ' ILE . . . -140.92 176.46 8.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.93 155.03 19.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.472 HG11 HD11 ' A' ' 15' ' ' LEU . 7.1 m -58.46 -31.44 43.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.257 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.2 -29.21 69.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -97.32 25.9 5.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.055 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.585 HD12 ' CG2' ' A' ' 47' ' ' VAL . 30.7 mt -149.79 155.67 7.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.117 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.442 ' N ' HG22 ' A' ' 83' ' ' ILE . 0.1 OUTLIER -150.25 174.48 12.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.77 118.02 14.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.778 0.323 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.0 mt -59.77 -46.88 87.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.944 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 53.7 p -65.48 -31.82 73.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.04 -52.94 29.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.064 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 56.2 mt -74.88 -43.47 54.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 97.93 33.63 5.72 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.551 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.5 tp -109.78 144.19 38.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.797 0.332 . . . . 0.0 110.863 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.04 163.11 12.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.906 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 35.7 mt -85.93 111.19 20.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 132.24 -28.28 3.49 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.558 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -69.95 163.75 25.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.789 0.328 . . . . 0.0 110.93 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.4 161.93 17.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.3 m -145.5 169.0 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.878 ' HB2' ' HB2' ' A' ' 86' ' ' ALA . 8.4 tp -108.85 123.5 49.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.969 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.594 HD12 HD23 ' A' ' 51' ' ' LEU . 42.2 mt -98.86 126.19 44.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.829 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 62.19 26.86 16.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 56.95 27.3 56.66 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.639 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -151.17 -70.2 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.784 0.326 . . . . 0.0 110.851 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.92 153.82 20.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -114.72 145.56 41.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -155.85 159.52 29.35 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.461 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 m -100.58 134.43 43.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.759 0.314 . . . . 0.0 110.941 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.8 tp -72.15 141.71 49.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -130.04 -46.0 1.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -138.07 150.58 47.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.68 ' HA ' HG12 ' A' ' 47' ' ' VAL . 52.5 t -147.11 140.87 25.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 134.2 -131.44 5.96 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.561 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.3 p -110.9 136.13 50.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.824 0.345 . . . . 0.0 110.911 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.421 HG21 ' CE1' ' A' ' 41' ' ' PHE . 2.0 p -96.67 -179.89 4.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.821 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -100.12 -44.53 5.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.421 ' CE1' HG21 ' A' ' 39' ' ' THR . 52.0 p90 -62.0 -31.44 71.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -135.51 152.22 51.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.142 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.64 122.56 46.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.946 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 138.91 -161.46 25.88 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.526 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -77.63 116.73 18.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.839 0.352 . . . . 0.0 110.947 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 92.3 m95 -142.76 146.49 34.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.68 HG12 ' HA ' ' A' ' 36' ' ' CYS . 4.8 m -143.51 136.99 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -87.8 115.67 4.4 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.489 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 25.8 t -120.69 146.29 25.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.833 0.349 . . . . 0.0 111.093 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -104.58 109.87 21.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.594 HD23 HD12 ' A' ' 25' ' ' LEU . 38.1 mt -60.01 133.32 55.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -59.48 -53.26 60.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.88 153.6 93.82 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.4 63.54 1.59 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.506 2.137 . . . . 0.0 112.264 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -147.34 149.61 33.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 167.39 -143.23 8.09 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.588 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.439 ' HE3' HD12 ' A' ' 76' ' ' LEU . 0.3 OUTLIER -160.67 -46.31 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.717 0.294 . . . . 0.0 110.903 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -92.56 136.76 32.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.4 p-10 -99.5 31.34 3.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 80.12 28.4 49.59 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.493 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -155.98 125.31 6.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.824 0.345 . . . . 0.0 110.922 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.4 t -135.3 114.09 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.153 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 59.65 31.15 70.37 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.515 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.58 -29.04 10.98 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.468 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.5 t -74.37 113.54 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.833 0.349 . . . . 0.0 111.166 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.6 ttm-85 -88.66 127.7 35.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -102.48 -31.4 10.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.914 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -174.43 178.92 1.89 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 28.9 mt -115.33 102.35 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.171 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 28.9 p -124.15 154.82 68.47 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_endo -61.75 176.47 1.3 Allowed 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.526 2.151 . . . . 0.0 112.2 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -50.75 112.27 0.73 Allowed 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.536 2.157 . . . . 0.0 112.434 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt 60.55 110.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.07 -40.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.34 131.4 35.41 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.557 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.531 HD22 HD11 ' A' ' 51' ' ' LEU . 17.1 tp -135.99 131.26 34.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.887 0.375 . . . . 0.0 110.849 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -110.75 124.27 51.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.478 ' HB3' HD11 ' A' ' 83' ' ' ILE . . . -146.49 172.24 13.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.161 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.4 m -81.3 143.64 32.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.8 m -59.02 -29.2 40.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.176 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.5 m -58.66 -30.42 67.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.9 mttm -103.79 31.04 4.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.855 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.478 HD11 ' HB3' ' A' ' 78' ' ' ALA . 31.2 mt -148.01 140.03 18.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.111 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 63.8 p -118.57 179.08 4.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.1 ptmt -100.6 77.27 1.89 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.878 ' HB2' ' HB2' ' A' ' 24' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.195 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.734 0.302 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.7 mt -58.91 -53.31 59.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 81.4 p -60.56 -33.66 73.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.26 -53.49 24.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.065 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 18.4 mt -64.57 -51.26 63.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.941 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.09 43.72 0.77 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.502 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.45 HD23 HD22 ' A' ' 33' ' ' LEU . 11.7 tp -139.97 162.98 33.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.803 0.335 . . . . 0.0 110.873 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.7 mtt180 -125.14 160.57 28.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.002 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.689 HD22 ' O ' ' A' ' 34' ' ' ARG . 93.8 mt -65.11 135.59 55.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.78 19.7 36.39 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.696 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -108.62 158.59 17.45 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.876 0.37 . . . . 0.0 110.781 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.07 148.43 26.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 31.2 m -137.85 159.35 33.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.114 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.8 tp -101.68 117.97 35.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.427 HD21 HG11 ' A' ' 49' ' ' VAL . 88.9 mt -96.66 111.79 23.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.91 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.7 t70 59.51 28.8 18.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.002 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 57.42 50.86 61.46 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.572 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.3 -73.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.763 0.316 . . . . 0.0 110.868 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.42 158.89 30.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.96 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -130.67 126.43 36.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.434 ' HA3' HG12 ' A' ' 49' ' ' VAL . . . -131.1 172.14 20.78 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.541 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.1 m -107.77 114.59 28.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.787 0.327 . . . . 0.0 110.832 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.45 HD22 HD23 ' A' ' 17' ' ' LEU . 9.2 tp -62.59 107.77 1.01 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.89 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.689 ' O ' HD22 ' A' ' 19' ' ' LEU . 1.6 mmp_? -96.46 -31.78 12.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -137.64 162.72 33.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.573 ' HA ' HG12 ' A' ' 47' ' ' VAL . 9.1 t -158.59 129.35 6.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.96 -132.21 5.28 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.472 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 30.4 p -104.48 172.86 6.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.842 0.353 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.721 HG21 ' CZ ' ' A' ' 41' ' ' PHE . 1.0 OUTLIER -135.17 170.83 15.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.854 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.96 -46.12 8.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.833 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.721 ' CZ ' HG21 ' A' ' 39' ' ' THR . 22.6 p90 -60.24 -31.54 70.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.927 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.93 110.52 6.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.047 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.13 95.52 2.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 178.88 -152.68 11.49 Favored Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -89.7 109.98 20.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.789 0.328 . . . . 0.0 110.903 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 92.1 m95 -141.75 153.2 44.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.573 HG12 ' HA ' ' A' ' 36' ' ' CYS . 31.0 m -144.17 139.86 24.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.152 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -83.07 116.84 4.28 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.481 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.434 HG12 ' HA3' ' A' ' 31' ' ' GLY . 21.5 t -122.15 126.01 73.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.8 0.333 . . . . 0.0 111.13 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -92.91 113.88 26.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 mt -63.16 127.74 32.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.57 -35.16 79.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -72.66 155.01 91.3 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.31 62.89 2.73 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.549 2.166 . . . . 0.0 112.302 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -159.78 150.0 18.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 177.34 -174.34 46.9 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -140.33 35.85 1.88 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.856 0.36 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -175.91 141.13 0.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -98.73 32.85 2.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.818 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 78.82 27.51 56.53 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.497 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 42.4 t -159.99 147.04 16.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.777 0.322 . . . . 0.0 110.944 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.4 t -133.87 106.91 9.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.098 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 62.18 -101.85 0.41 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.515 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -116.7 28.49 7.39 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.478 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.6 t -136.02 139.06 46.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.849 0.357 . . . . 0.0 111.054 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.3 ttm-85 -120.32 136.19 54.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.43 ' N ' ' CD1' ' A' ' 67' ' ' TYR . 3.6 m-85 -111.71 -34.19 6.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.427 ' CD2' ' HD3' ' A' ' 34' ' ' ARG . 24.2 p90 -168.81 -179.13 3.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.952 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 1.6 pt -118.04 129.87 73.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.087 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 30.3 p -156.56 161.8 28.8 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -56.05 169.35 1.47 Allowed 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.647 2.232 . . . . 0.0 112.136 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -63.76 123.09 11.41 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.538 2.159 . . . . 0.0 112.195 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.3 mttp 62.34 89.37 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -165.86 -43.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -78.99 144.52 27.54 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.486 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.537 HD23 ' N ' ' A' ' 77' ' ' PHE . 0.9 OUTLIER -153.32 146.76 24.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.802 0.334 . . . . 0.0 110.948 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.537 ' N ' HD23 ' A' ' 76' ' ' LEU . 16.6 m-85 -109.33 146.76 33.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -155.98 176.16 13.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.095 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.7 m -88.15 143.43 27.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 15.5 m -57.67 -29.18 33.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.247 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.2 m -59.79 -30.67 69.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.972 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.4 mtpt -103.04 30.15 5.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.984 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.422 HG22 ' N ' ' A' ' 84' ' ' SER . 41.8 mt -141.77 154.4 19.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.074 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.422 ' N ' HG22 ' A' ' 83' ' ' ILE . 0.3 OUTLIER -129.96 180.0 5.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.936 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 11.1 tttm -97.28 38.91 1.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.837 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.0 mmt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.778 0.323 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.921 HD21 HD21 ' A' ' 33' ' ' LEU . 25.9 mt -62.72 -53.52 53.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.4 m -60.79 -32.48 71.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.99 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.35 -36.23 83.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.158 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.5 mt -84.05 -53.4 5.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.945 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 125.42 41.55 0.35 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.506 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.0 tp -146.2 158.32 43.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.783 0.325 . . . . 0.0 110.866 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -118.59 168.63 10.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.664 HD22 ' O ' ' A' ' 34' ' ' ARG . 55.7 mt -73.53 152.25 40.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.985 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.35 -42.38 2.08 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.433 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.59 175.37 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.826 0.346 . . . . 0.0 110.87 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -107.18 161.45 14.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.8 m -132.9 162.68 39.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.115 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.3 tp -107.4 120.5 42.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.929 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.535 HD11 HG11 ' A' ' 49' ' ' VAL . 64.3 mt -96.07 118.38 32.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.9 t0 61.09 28.32 18.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 57.31 39.04 89.67 Favored Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.529 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -155.99 -72.69 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.831 0.348 . . . . 0.0 110.985 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.19 150.64 29.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -121.6 129.66 52.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -132.13 166.47 23.23 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.487 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.7 m -110.65 111.09 22.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 0.0 110.928 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.921 HD21 HD21 ' A' ' 12' ' ' LEU . 59.9 tp -60.18 147.29 40.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.664 ' O ' HD22 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -145.77 -47.48 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -119.91 150.7 40.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.483 ' SG ' HG12 ' A' ' 47' ' ' VAL . 48.4 t -153.57 150.12 28.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 115.37 -157.98 14.66 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.8 -0.715 . . . . 0.0 112.518 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.1 p -80.88 173.06 12.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.872 0.368 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 17.4 p -134.25 169.21 17.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -74.9 -44.41 48.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.933 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.419 ' CD1' ' N ' ' A' ' 42' ' ' ALA . 40.4 p90 -63.37 -38.61 91.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.815 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.419 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . -144.77 144.18 31.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.106 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.85 98.05 7.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -166.18 -124.41 0.71 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.487 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -119.82 112.79 19.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.863 0.363 . . . . 0.0 110.857 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 72.5 m95 -143.59 146.92 33.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.483 HG12 ' SG ' ' A' ' 36' ' ' CYS . 29.5 m -145.6 135.2 17.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.183 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -75.36 123.22 7.12 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.546 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.535 HG11 HD11 ' A' ' 25' ' ' LEU . 26.2 t -122.89 127.12 74.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.853 0.359 . . . . 0.0 111.091 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -104.86 105.32 15.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 57.0 mt -59.98 127.55 32.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -65.34 -39.5 92.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.91 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.47 160.42 79.61 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.855 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.97 62.71 2.47 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.605 2.204 . . . . 0.0 112.244 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -143.23 154.21 43.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 160.14 -134.69 3.75 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.472 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -176.42 -40.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.79 0.329 . . . . 0.0 110.921 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -110.08 157.67 19.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.65 27.75 4.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.028 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 95.84 -27.88 14.61 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.51 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.1 t -107.15 142.58 36.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.854 0.359 . . . . 0.0 110.932 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.6 t -137.05 123.58 28.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 65.28 -119.74 15.47 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.455 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -110.02 28.3 10.67 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.541 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.6 t -147.13 139.88 19.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.79 0.328 . . . . 0.0 111.08 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -120.21 143.7 48.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.948 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -107.33 -31.12 8.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 30.6 p90 -173.23 -178.16 1.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 10.3 pt -115.44 140.2 38.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.18 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 31.5 p -155.92 153.03 25.02 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.974 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -52.6 176.28 0.07 OUTLIER 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.659 2.239 . . . . 0.0 112.314 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.24 110.06 0.41 Allowed 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.634 2.222 . . . . 0.0 112.233 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.3 mttt 60.86 111.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -177.1 -39.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.957 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -59.43 124.63 37.04 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.498 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.9 tp -138.26 114.85 10.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.786 0.327 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -99.13 140.37 33.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.913 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.542 ' HB3' HD11 ' A' ' 83' ' ' ILE . . . -157.57 -179.98 8.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.17 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.73 147.49 25.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 31.1 m -57.69 -34.09 46.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.226 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 59.8 m -64.35 -28.14 69.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.082 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -97.76 28.97 3.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.084 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.542 HD11 ' HB3' ' A' ' 78' ' ' ALA . 30.6 mt -150.59 153.22 10.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.884 0.373 . . . . 0.0 111.152 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 17.1 m -113.32 171.3 7.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.83 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.7 pttt -99.99 47.61 0.94 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.969 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.123 179.942 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 3.1 mpp? . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.857 0.361 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.573 HD21 HD21 ' A' ' 33' ' ' LEU . 21.5 mt -59.19 -29.8 67.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.957 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.13 -31.39 34.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.956 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.63 -32.16 70.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.183 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.5 mt -94.35 -58.95 2.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 123.89 40.38 0.45 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.54 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.424 HD21 ' CG1' ' A' ' 23' ' ' VAL . 26.2 tp -128.64 161.96 28.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.838 0.352 . . . . 0.0 110.961 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.1 ttt85 -127.45 161.05 29.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.565 HD22 ' O ' ' A' ' 34' ' ' ARG . 4.8 mt -76.84 151.01 36.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.841 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.63 -29.8 9.84 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.432 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.06 168.95 18.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.792 0.33 . . . . 0.0 110.886 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -93.42 149.81 20.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.51 ' C ' ' HB2' ' A' ' 86' ' ' ALA . 10.5 m -130.74 168.84 22.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.055 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 24' ' ' LEU . 5.8 tp -115.08 104.97 12.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.83 HD21 HG11 ' A' ' 49' ' ' VAL . 32.1 mt -81.86 125.62 30.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.945 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 60.08 26.54 15.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.033 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 55.47 43.43 85.32 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.716 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -166.65 -67.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.796 0.331 . . . . 0.0 110.927 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.94 134.82 57.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.15 123.43 43.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -133.45 177.28 19.12 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.536 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 60.1 m -125.29 125.03 42.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.815 0.34 . . . . 0.0 110.913 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.573 HD21 HD21 ' A' ' 12' ' ' LEU . 35.8 tp -67.22 140.11 57.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.565 ' O ' HD22 ' A' ' 19' ' ' LEU . 3.0 mtp85 -131.56 -52.88 1.01 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.965 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.432 ' CD2' ' N ' ' A' ' 36' ' ' CYS . 54.8 t80 -109.39 163.32 13.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.491 ' SG ' HD21 ' A' ' 19' ' ' LEU . 23.2 p -155.36 116.49 3.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.19 -148.85 20.43 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.475 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 47.5 p -85.24 -178.27 6.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.804 0.335 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.4 p -129.66 177.4 7.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -93.55 -43.42 8.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.941 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -70.05 -31.59 69.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -135.24 -179.61 5.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -133.63 138.8 46.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 139.45 -156.5 24.66 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.472 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -92.7 106.34 18.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.808 0.337 . . . . 0.0 110.889 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 77.3 m95 -132.4 154.79 49.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.408 ' HB ' HD11 ' A' ' 33' ' ' LEU . 10.7 m -144.17 137.01 23.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -80.44 123.5 6.09 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.411 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.83 HG11 HD21 ' A' ' 25' ' ' LEU . 21.6 t -129.07 133.29 66.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.867 0.365 . . . . 0.0 111.094 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -105.48 115.44 30.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.652 HD12 ' O ' ' A' ' 74' ' ' GLN . 1.2 mp -73.21 138.47 45.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.947 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -65.09 -48.88 72.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -65.5 151.65 93.96 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -72.02 62.24 3.24 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.544 2.162 . . . . 0.0 112.268 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.442 ' O ' HD13 ' A' ' 51' ' ' LEU . 53.3 mt-10 -155.71 100.53 2.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -129.78 -113.51 1.64 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.499 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -176.63 -47.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.791 0.329 . . . . 0.0 110.867 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.433 ' OD1' HG22 ' A' ' 62' ' ' VAL . 24.7 m-80 -111.56 158.78 18.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -98.42 30.53 3.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.426 ' HA2' ' CE1' ' A' ' 68' ' ' PHE . . . 96.26 -27.77 15.66 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.526 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -109.14 142.88 39.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.866 0.365 . . . . 0.0 110.84 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.433 HG22 ' OD1' ' A' ' 58' ' ' ASN . 21.4 t -142.07 117.25 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.16 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 64.02 27.09 70.85 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.569 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 99.4 -28.02 17.39 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.549 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.5 t -79.85 118.87 28.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.81 0.338 . . . . 0.0 111.102 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 35.9 ttp180 -94.29 117.47 30.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -92.72 -30.91 15.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.907 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.44 ' CG ' ' HD3' ' A' ' 34' ' ' ARG . 15.5 p90 -174.18 179.87 1.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.965 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.9 mp -121.78 124.19 70.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.081 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.4 ' HB2' ' HD2' ' A' ' 71' ' ' PRO . 31.5 p -152.25 160.98 30.59 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.944 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.4 ' HD2' ' HB2' ' A' ' 70' ' ' CYS . 76.2 Cg_exo -49.81 167.45 0.2 Allowed 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.541 2.161 . . . . 0.0 112.255 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -58.22 122.55 11.87 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.606 2.204 . . . . 0.0 112.235 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.58 91.97 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.84 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.652 ' O ' HD12 ' A' ' 51' ' ' LEU . 5.9 tt0 -162.67 -44.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.975 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -72.31 130.25 15.65 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.499 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.2 tp -135.69 120.97 19.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.804 0.335 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -99.85 117.28 33.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -138.46 170.85 15.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.079 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.8 m -80.86 150.46 29.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 23.0 m -59.8 -26.04 34.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.241 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 84.4 p -56.18 -31.47 63.45 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.008 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -107.17 30.61 6.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.812 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.551 HG23 HD23 ' A' ' 25' ' ' LEU . 30.4 mt -142.17 145.1 24.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.066 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.1 m -138.27 177.83 7.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.987 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -78.32 134.38 37.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.87 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.51 ' HB2' ' C ' ' A' ' 23' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.1 tpt . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.873 0.368 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.3 mt -59.11 -31.26 68.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.959 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.1 m -70.43 -51.4 29.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.41 -32.68 72.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.068 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.0 mt -74.95 -65.05 0.92 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.925 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 128.63 43.01 0.23 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.867 -0.683 . . . . 0.0 112.485 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.697 HD23 HD22 ' A' ' 33' ' ' LEU . 2.4 tp -148.62 154.34 39.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.754 0.312 . . . . 0.0 110.913 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.42 153.22 31.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.71 HD22 ' O ' ' A' ' 34' ' ' ARG . 28.4 mt -59.97 131.33 50.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.72 -24.12 33.19 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.588 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -59.92 152.35 23.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.774 0.321 . . . . 0.0 110.86 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.1 ttm-85 -72.4 145.48 47.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.443 HG22 ' O ' ' A' ' 31' ' ' GLY . 16.0 m -135.77 141.33 42.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.043 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.484 ' HB2' ' HB2' ' A' ' 86' ' ' ALA . 11.9 tp -100.68 117.5 34.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.84 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.562 HD11 HG11 ' A' ' 49' ' ' VAL . 15.6 mt -102.28 135.53 43.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 59.52 24.97 13.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.027 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 55.45 38.45 70.03 Favored Glycine 0 C--N 1.33 0.246 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.673 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -168.32 -59.2 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.791 0.329 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.01 138.95 57.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -105.32 118.99 37.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.443 ' O ' HG22 ' A' ' 23' ' ' VAL . . . -121.85 158.37 16.56 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.552 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -114.6 117.35 30.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.786 0.327 . . . . 0.0 110.965 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.697 HD22 HD23 ' A' ' 17' ' ' LEU . 46.1 tp -60.23 150.92 28.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.71 ' O ' HD22 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -142.67 -56.14 0.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.426 ' CD2' ' CD1' ' A' ' 67' ' ' TYR . 71.7 t80 -125.38 162.16 25.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.957 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.422 ' SG ' HG12 ' A' ' 47' ' ' VAL . 52.5 t -153.51 154.69 34.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.794 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 125.54 -145.45 15.71 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.486 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.6 p -103.31 154.19 19.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.839 0.352 . . . . 0.0 110.834 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 20.1 p -104.42 179.06 4.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -100.46 -46.68 5.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.912 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 26.1 p90 -62.99 -31.66 72.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.808 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -134.4 171.59 14.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.14 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 22.2 t -119.47 140.37 50.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 139.12 -151.09 21.62 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.481 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -114.82 108.41 16.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.759 0.314 . . . . 0.0 110.873 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 42.5 m95 -120.38 165.08 15.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.429 HG11 ' CG1' ' A' ' 80' ' ' VAL . 29.4 m -151.79 134.89 7.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.15 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -74.97 116.06 4.9 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.481 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.562 HG11 HD11 ' A' ' 25' ' ' LEU . 21.4 t -121.83 120.45 61.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.814 0.34 . . . . 0.0 111.156 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -93.98 115.12 27.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.519 HD12 ' O ' ' A' ' 55' ' ' GLU . 46.1 mt -71.02 128.54 36.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.847 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -60.37 -43.04 96.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.37 163.47 64.18 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.944 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 78.93 0.96 Allowed 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.55 2.167 . . . . 0.0 112.258 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.519 ' O ' HD12 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -159.99 138.84 10.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.831 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 171.92 169.05 34.26 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.505 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.8 ttmm -115.42 -36.01 4.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.813 0.339 . . . . 0.0 111.013 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -106.81 167.84 9.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -117.41 28.88 8.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.946 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.432 ' HA2' ' CE2' ' A' ' 68' ' ' PHE . . . 95.99 -33.22 5.71 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.535 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.5 m -114.58 142.59 46.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.864 0.364 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.416 HG21 ' CE2' ' A' ' 77' ' ' PHE . 21.6 t -135.22 110.88 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.131 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 62.06 -116.47 9.41 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.488 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -108.88 28.41 11.33 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.5 t -133.4 133.12 57.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.874 0.368 . . . . 0.0 111.107 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.41 128.9 56.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.922 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.426 ' CD1' ' CD2' ' A' ' 35' ' ' PHE . 43.1 m-85 -114.88 -38.41 3.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.432 ' CE2' ' HA2' ' A' ' 60' ' ' GLY . 22.8 p90 -166.43 -178.09 4.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 21.4 mt -125.82 125.88 69.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 27.9 p -146.65 147.46 30.35 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.19 172.56 0.19 Allowed 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.495 2.13 . . . . 0.0 112.373 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -52.57 118.85 5.09 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.594 2.196 . . . . 0.0 112.262 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.9 mtmm 60.06 99.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -171.78 -41.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -81.79 128.24 8.36 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.608 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.9 tt -133.36 120.66 21.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.889 0.376 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.416 ' CE2' HG21 ' A' ' 62' ' ' VAL . 90.2 m-85 -82.74 109.95 17.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.956 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.486 ' HB3' HD11 ' A' ' 83' ' ' ILE . . . -122.8 177.59 5.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.099 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 34.9 m -99.87 137.95 37.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.429 ' CG1' HG11 ' A' ' 47' ' ' VAL . 12.9 m -54.94 -29.95 22.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.276 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.7 m -65.45 -28.52 69.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.037 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -103.32 28.48 6.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.2 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.502 HG23 HD23 ' A' ' 25' ' ' LEU . 48.9 mt -139.35 153.83 24.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.045 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.417 ' N ' HG22 ' A' ' 83' ' ' ILE . 72.2 p -131.36 179.96 5.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.896 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -90.61 130.91 36.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.484 ' HB2' ' HB2' ' A' ' 24' ' ' LEU . . . . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.135 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.527 0.089 0 CA-C-O 120.811 0.339 . . . . 0.0 110.815 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.627 HD21 ' CD2' ' A' ' 19' ' ' LEU . 6.0 mt -65.65 -31.18 72.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.9 t -84.97 -32.3 23.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.85 -32.99 71.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.186 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.791 ' CD1' HG11 ' A' ' 80' ' ' VAL . 60.1 mt -86.01 -49.47 7.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.1 38.44 1.14 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.5 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.736 HD23 HD22 ' A' ' 33' ' ' LEU . 7.9 tp -149.39 152.41 35.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.754 0.311 . . . . 0.0 110.896 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.56 ' O ' HD23 ' A' ' 33' ' ' LEU . 5.7 mtt180 -112.43 166.03 11.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.627 ' CD2' HD21 ' A' ' 12' ' ' LEU . 14.2 mt -76.65 143.39 40.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.018 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.73 -28.2 14.56 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.474 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.25 180.0 0.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.843 0.354 . . . . 0.0 110.843 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -98.81 145.33 27.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.411 ' C ' ' HB2' ' A' ' 86' ' ' ALA . 5.7 m -140.58 148.23 22.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.111 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.534 HD23 ' HA2' ' A' ' 27' ' ' GLY . 12.3 tp -104.33 118.41 36.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.657 HD23 HG23 ' A' ' 83' ' ' ILE . 76.4 mt -89.9 123.03 33.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.05 23.15 11.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.534 ' HA2' HD23 ' A' ' 24' ' ' LEU . . . 54.32 52.51 43.92 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.675 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -167.54 -50.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.833 0.349 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.79 133.17 34.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.912 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -95.32 116.91 29.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.867 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -121.25 160.42 15.59 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.52 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -108.19 119.44 39.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.794 0.331 . . . . 0.0 110.885 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.736 HD22 HD23 ' A' ' 17' ' ' LEU . 15.8 tp -60.29 138.63 57.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -128.69 -51.08 1.25 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.822 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -125.22 156.97 37.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.547 ' SG ' HG12 ' A' ' 47' ' ' VAL . 31.0 t -158.8 143.04 15.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.971 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 126.87 -140.56 12.01 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.468 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -96.11 163.54 13.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.843 0.354 . . . . 0.0 110.849 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 30.3 p -113.33 160.81 17.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -87.09 -43.63 12.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 31.0 p90 -66.1 -35.04 79.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -135.56 -176.65 4.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.123 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.5 t -123.96 161.74 24.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 122.8 -139.36 12.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.456 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.7 109.03 8.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.787 0.327 . . . . 0.0 110.89 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 70.0 m95 -124.48 165.52 17.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.547 HG12 ' SG ' ' A' ' 36' ' ' CYS . 13.4 m -151.11 130.02 3.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -79.66 127.3 7.9 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.48 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.519 HG21 HD21 ' A' ' 25' ' ' LEU . 22.1 t -126.65 139.42 51.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.841 0.353 . . . . 0.0 111.065 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -107.78 100.25 9.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.855 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.423 HD21 HD12 ' A' ' 25' ' ' LEU . 15.0 mt -60.04 136.54 58.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -67.38 -51.87 46.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -65.15 164.0 26.46 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.66 62.94 2.3 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.579 2.186 . . . . 0.0 112.219 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -143.79 140.82 30.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.951 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 179.29 -156.71 19.11 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.535 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.9 mmmt -150.23 -50.04 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.813 0.34 . . . . 0.0 110.964 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -114.78 159.82 20.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.971 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -104.34 33.71 3.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.919 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 74.0 23.88 75.18 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.492 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.97 111.35 6.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.768 0.318 . . . . 0.0 110.79 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 20.5 t -128.08 129.41 69.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.193 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 59.21 -108.82 1.78 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.53 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -125.64 28.52 4.95 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.456 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.5 t -137.38 130.78 43.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.872 0.368 . . . . 0.0 111.128 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -105.77 122.09 45.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -92.35 -31.58 15.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.983 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 29.1 p90 -176.47 174.28 1.94 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.572 ' N ' HD12 ' A' ' 69' ' ' ILE . 3.4 mp -118.65 119.98 62.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 24.2 p -140.45 156.65 69.44 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.841 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.17 167.28 0.53 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.559 2.173 . . . . 0.0 112.292 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -53.11 118.46 4.84 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.643 2.229 . . . . 0.0 112.332 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.27 104.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.992 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -176.83 -39.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.2 118.04 4.61 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.463 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 43.6 tp -123.35 128.16 49.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.827 0.346 . . . . 0.0 110.884 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -97.36 117.55 31.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.404 ' O ' HG22 ' A' ' 47' ' ' VAL . . . -135.05 167.73 20.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.115 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 m -75.76 147.48 39.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.791 HG11 ' CD1' ' A' ' 15' ' ' LEU . 11.4 m -59.55 -30.71 45.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.213 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 19.3 m -60.46 -29.83 69.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.954 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -98.37 31.06 2.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.657 HG23 HD23 ' A' ' 25' ' ' LEU . 28.6 mt -148.18 153.44 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.045 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 89.0 p -132.81 150.06 52.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.938 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.478 ' HG2' HD13 ' A' ' 17' ' ' LEU . 4.8 mtmt -60.38 131.12 49.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.519 ' HB2' ' N ' ' A' ' 24' ' ' LEU . . . . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.031 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 61.9 mtp . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.785 0.326 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.607 HD22 ' HB3' ' A' ' 17' ' ' LEU . 56.3 mt -68.9 -29.81 68.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.6 t -58.33 -48.84 79.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.934 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.6 -44.06 68.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.129 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.9 mt -64.63 -31.21 72.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.74 29.54 10.62 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.488 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.607 ' HB3' HD22 ' A' ' 12' ' ' LEU . 17.1 tp -113.5 163.78 14.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.796 0.332 . . . . 0.0 110.914 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.1 mtt85 -121.57 167.9 12.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.1 mt -93.07 142.19 27.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.6 -28.42 13.46 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.492 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.67 179.98 0.96 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.814 0.34 . . . . 0.0 110.933 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.64 157.38 15.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.84 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 17.1 m -138.25 163.83 28.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.8 tp -114.66 117.51 31.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.008 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.502 HD12 ' CD2' ' A' ' 51' ' ' LEU . 54.7 mt -95.89 130.43 42.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.9 t70 60.73 25.73 15.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.019 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 55.45 45.97 82.15 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.681 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -170.72 -64.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.798 0.332 . . . . 0.0 110.947 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.02 150.01 30.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.946 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 77.5 p -116.5 133.96 55.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -139.39 171.42 23.72 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.49 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.2 m -117.29 120.55 38.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.805 0.336 . . . . 0.0 110.947 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.655 HD11 ' HB ' ' A' ' 47' ' ' VAL . 19.3 tp -75.47 140.14 42.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.906 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 9.4 mtp180 -133.55 -46.67 0.81 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.441 ' CD1' ' N ' ' A' ' 36' ' ' CYS . 59.9 t80 -115.85 160.24 20.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.441 ' N ' ' CD1' ' A' ' 35' ' ' PHE . 53.0 t -160.01 154.51 23.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.895 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.32 -153.41 17.63 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.494 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.3 p -90.71 151.58 21.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.812 0.339 . . . . 0.0 110.929 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.4 p -99.16 -178.53 3.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.818 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -92.15 -56.85 2.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -60.05 -30.31 69.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.968 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -133.39 174.16 10.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.067 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -134.1 150.33 51.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 130.41 -143.61 14.93 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.473 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.418 ' HB3' HG22 ' A' ' 80' ' ' VAL . 4.9 mp0 -102.11 111.33 23.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.87 0.367 . . . . 0.0 110.857 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 96.6 m95 -135.74 149.66 49.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.655 ' HB ' HD11 ' A' ' 33' ' ' LEU . 12.3 m -147.51 126.89 4.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.461 ' O ' HD12 ' A' ' 33' ' ' LEU . . . -82.99 123.13 5.97 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.6 t -127.62 138.18 55.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.823 0.344 . . . . 0.0 111.012 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -97.84 118.72 35.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.937 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.502 ' CD2' HD12 ' A' ' 25' ' ' LEU . 89.1 mt -71.64 127.37 32.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.89 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -67.45 -34.2 76.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.09 156.54 85.91 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.35 63.01 2.13 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.596 2.197 . . . . 0.0 112.27 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -154.58 140.48 18.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -174.59 -129.7 1.21 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.539 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.56 -40.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.889 0.376 . . . . 0.0 110.95 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 26.5 m-20 -115.51 -178.36 3.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -120.24 29.9 7.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.43 ' HA2' ' CE2' ' A' ' 68' ' ' PHE . . . 94.21 -41.7 2.57 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.528 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 37.8 p -102.58 139.62 37.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.763 0.316 . . . . 0.0 110.927 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.5 t -127.17 115.91 42.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.041 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 59.64 -121.07 25.46 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.409 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -97.24 24.17 32.54 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.664 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 30.2 t -129.24 135.56 61.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.876 0.37 . . . . 0.0 110.984 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.2 ttt180 -117.89 124.61 48.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.933 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.423 ' N ' ' CD1' ' A' ' 67' ' ' TYR . 4.1 m-85 -108.07 -35.53 6.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.971 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.43 ' CE2' ' HA2' ' A' ' 60' ' ' GLY . 24.8 p90 -177.13 175.12 1.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 12.5 pt -117.07 121.16 67.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.152 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.1 p -138.17 158.66 70.58 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.47 164.38 1.39 Allowed 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.514 2.142 . . . . 0.0 112.268 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.69 117.7 3.96 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.603 2.202 . . . . 0.0 112.245 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.6 mmtp 59.95 92.01 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.75 -42.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -73.41 117.59 5.9 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.493 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.04 131.4 34.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.841 0.353 . . . . 0.0 110.919 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -96.13 155.02 16.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -160.05 161.99 34.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.079 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.7 m -73.41 148.07 43.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.829 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.418 HG22 ' HB3' ' A' ' 45' ' ' GLN . 20.8 m -55.55 -30.44 26.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.326 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.8 m -57.8 -26.89 62.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.793 ' O ' HD13 ' A' ' 83' ' ' ILE . 4.5 mmtt -107.66 41.52 1.5 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.025 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.793 HD13 ' O ' ' A' ' 82' ' ' LYS . 22.0 mm -135.57 140.91 43.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.157 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -125.64 156.61 38.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.752 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 11.3 mttm -77.29 124.77 28.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.057 179.962 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 57.6 mmm . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.864 0.364 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.422 HD21 HD21 ' A' ' 33' ' ' LEU . 57.8 mt -59.34 -30.85 68.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.974 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.0 p -59.75 -31.38 69.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.94 -31.65 17.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.095 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.1 mt -71.82 -43.61 65.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.38 37.91 5.77 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.46 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.6 tp -139.15 163.16 33.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.788 0.328 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -112.46 160.19 18.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.8 mt -72.65 145.68 47.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.06 -36.86 3.67 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.484 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -60.18 160.52 8.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.785 0.326 . . . . 0.0 110.961 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.5 mtt180 -79.2 160.69 26.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.781 ' CG2' HG11 ' A' ' 49' ' ' VAL . 19.3 m -135.35 178.74 4.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.138 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.3 tp -122.55 115.65 22.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.449 HD12 HD23 ' A' ' 51' ' ' LEU . 40.6 mt -98.02 129.67 44.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.5 t70 60.37 27.21 16.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.968 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 56.07 25.81 47.46 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.696 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -152.93 -59.97 0.14 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.761 0.315 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.04 157.4 12.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -121.37 144.64 48.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.827 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -151.92 -177.68 25.88 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.493 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.554 ' C ' HG13 ' A' ' 49' ' ' VAL . 5.8 m -123.71 121.27 35.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.793 0.33 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.571 HD12 HG22 ' A' ' 49' ' ' VAL . 21.1 tp -67.55 121.57 16.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.927 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.428 ' HD3' ' CG ' ' A' ' 68' ' ' PHE . 29.2 mtp85 -115.83 -39.15 3.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.868 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -133.06 153.06 51.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.474 ' SG ' HG12 ' A' ' 47' ' ' VAL . 25.3 t -159.82 137.97 10.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.935 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 130.35 -130.77 6.31 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.52 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -107.43 164.42 12.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.826 0.346 . . . . 0.0 110.837 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.47 ' OG1' ' HB3' ' A' ' 42' ' ' ALA . 7.6 p -122.7 179.85 4.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.16 -30.48 15.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -98.81 30.9 3.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.94 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.485 ' HB1' ' HE1' ' A' ' 46' ' ' TRP . . . -170.81 148.22 2.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.122 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.4 m -114.99 36.64 3.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -132.95 -153.4 7.2 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.518 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -97.81 124.27 42.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.867 0.365 . . . . 0.0 110.856 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.485 ' HE1' ' HB1' ' A' ' 42' ' ' ALA . 79.0 m95 -141.11 160.45 40.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.707 HG21 HG13 ' A' ' 83' ' ' ILE . 19.1 m -151.1 134.93 8.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.131 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.432 ' HA3' ' CE1' ' A' ' 77' ' ' PHE . . . -99.46 122.72 7.67 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.46 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.781 HG11 ' CG2' ' A' ' 23' ' ' VAL . 21.3 t -134.63 136.33 52.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.855 0.36 . . . . 0.0 111.09 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -81.23 126.22 31.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.449 HD23 HD12 ' A' ' 25' ' ' LEU . 11.4 mt -74.68 131.88 41.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.949 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -61.16 -35.74 77.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.927 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -93.55 157.49 38.36 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.61 65.43 1.71 Allowed 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.537 2.158 . . . . 0.0 112.223 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -134.25 155.06 50.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.914 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 141.45 -158.99 26.69 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.472 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.8 tptm -145.67 -47.89 0.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.786 0.327 . . . . 0.0 110.937 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 -89.92 153.65 20.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.58 30.03 3.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.798 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.32 -31.75 7.12 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.565 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 75.0 p -110.64 146.37 36.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.856 0.36 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.6 t -126.51 106.27 15.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.058 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 62.99 -97.96 0.21 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.477 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -119.27 28.38 6.59 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.5 t -132.82 117.89 31.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.803 0.335 . . . . 0.0 111.133 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.1 ttt180 -99.41 126.15 45.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -105.0 -33.31 8.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.428 ' CG ' ' HD3' ' A' ' 34' ' ' ARG . 12.4 p90 -177.0 -178.53 0.83 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.942 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 27.8 mt -114.88 117.22 54.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.083 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 16.8 p -140.73 156.15 69.06 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.409 ' CB ' ' HD2' ' A' ' 72' ' ' PRO . 17.1 Cg_endo -57.59 173.24 0.8 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.584 2.19 . . . . 0.0 112.084 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.409 ' HD2' ' CB ' ' A' ' 71' ' ' PRO . 18.8 Cg_endo -58.18 114.85 2.15 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.544 2.163 . . . . 0.0 112.237 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.7 mttm 61.83 77.22 0.34 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.988 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -159.2 28.53 0.2 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -139.16 126.45 3.36 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.423 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 10.9 tp -126.17 146.77 49.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.825 0.345 . . . . 0.0 110.93 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.432 ' CE1' ' HA3' ' A' ' 48' ' ' GLY . 93.3 m-85 -127.33 106.53 9.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.81 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.55 ' O ' HG22 ' A' ' 47' ' ' VAL . . . -131.39 176.34 8.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.183 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.0 m -76.38 166.13 23.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 8.3 m -63.26 -29.6 47.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.33 -30.49 68.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.94 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.7 ' O ' HD13 ' A' ' 83' ' ' ILE . 1.7 mtmt -97.79 36.66 1.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.96 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.707 HG13 HG21 ' A' ' 47' ' ' VAL . 23.1 mm -140.03 152.45 22.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.114 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.2 m -145.23 160.97 40.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.78 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.46 134.12 37.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.827 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.614 ' HB2' ' C ' ' A' ' 23' ' ' VAL . . . . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.054 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.447 ' C ' HD12 ' A' ' 15' ' ' LEU . 2.0 mpp? . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.817 0.341 . . . . 0.0 111.043 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.681 HD22 ' O ' ' A' ' 17' ' ' LEU . 14.2 mt -59.12 -31.84 69.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.4 t -69.58 -46.72 65.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.8 -30.91 59.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.682 HD21 HG21 ' A' ' 80' ' ' VAL . 5.7 mt -72.66 -59.57 2.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.836 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.28 52.65 0.44 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.699 HD23 HD22 ' A' ' 33' ' ' LEU . 14.5 tp -154.79 160.6 41.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.848 0.356 . . . . 0.0 110.874 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.16 166.28 12.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.8 mt -79.05 159.13 27.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.37 22.01 58.01 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.562 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -105.38 157.41 17.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.774 0.321 . . . . 0.0 110.857 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.686 HH21 ' HB1' ' A' ' 86' ' ' ALA . 7.3 ttp180 -82.54 141.7 32.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.946 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.476 ' CG1' HD21 ' A' ' 17' ' ' LEU . 16.8 m -132.15 164.9 33.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.131 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.448 HD12 ' O ' ' A' ' 29' ' ' LYS . 23.9 tp -106.56 110.74 23.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.44 HD12 HD23 ' A' ' 51' ' ' LEU . 65.1 mt -92.32 131.62 37.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 59.37 25.47 14.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.048 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 55.75 36.49 65.78 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.695 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.33 -51.53 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.853 0.359 . . . . 0.0 110.891 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.448 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -73.29 161.84 30.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.1 p -123.72 143.98 49.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.825 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -142.61 -179.96 19.84 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.459 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.83 110.36 14.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.856 0.36 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.699 HD22 HD23 ' A' ' 17' ' ' LEU . 12.5 tp -60.51 125.05 22.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.424 ' HB2' ' CD2' ' A' ' 68' ' ' PHE . 4.9 mtp85 -121.91 -42.67 2.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.968 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -131.13 154.91 47.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.929 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.572 ' SG ' HG12 ' A' ' 47' ' ' VAL . 42.0 t -155.9 141.92 18.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 127.15 -139.85 11.48 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.533 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.503 HG22 ' H ' ' A' ' 44' ' ' GLY . 0.6 OUTLIER -88.93 162.28 16.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.779 0.323 . . . . 0.0 110.958 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.615 HG21 ' CE2' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -127.62 167.84 15.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.851 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.59 -30.94 26.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.615 ' CE2' HG21 ' A' ' 39' ' ' THR . 53.8 p90 -84.34 -31.0 25.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.93 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.65 105.5 4.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.243 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -78.61 117.73 20.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.503 ' H ' HG22 ' A' ' 38' ' ' THR . . . 164.69 -112.21 0.5 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.503 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -130.96 104.09 6.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.778 0.323 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 71.2 m95 -137.85 165.6 26.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.572 HG12 ' SG ' ' A' ' 36' ' ' CYS . 30.9 m -148.83 131.38 6.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -88.24 115.94 4.49 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.499 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.5 t -122.37 150.67 26.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.85 0.357 . . . . 0.0 111.088 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -105.97 116.46 31.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.882 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.44 HD23 HD12 ' A' ' 25' ' ' LEU . 50.1 mt -62.83 129.73 41.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.37 -34.97 78.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -86.58 156.24 56.23 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -62.26 75.63 0.1 OUTLIER 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.736 2.291 . . . . 0.0 112.314 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.403 ' O ' HD12 ' A' ' 51' ' ' LEU . 3.3 mt-10 -160.05 141.7 12.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.889 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 174.63 -169.1 42.0 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.557 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.7 mtmm -132.03 -46.43 0.93 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.891 0.377 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.488 ' OD1' HG22 ' A' ' 62' ' ' VAL . 10.2 m-80 -111.59 167.07 10.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -108.0 35.41 3.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.852 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 102.37 -47.02 1.18 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.45 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -103.21 133.88 47.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.821 0.343 . . . . 0.0 110.889 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.488 HG22 ' OD1' ' A' ' 58' ' ' ASN . 21.5 t -135.51 133.45 52.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.07 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 59.63 27.1 63.32 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.507 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.3 -29.6 9.94 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.544 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 28.5 t -73.14 149.6 8.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.826 0.346 . . . . 0.0 111.074 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.8 ttp180 -125.51 119.22 27.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -104.58 -32.68 8.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.966 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.424 ' CD2' ' HB2' ' A' ' 34' ' ' ARG . 33.6 p90 -171.61 -177.8 2.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 27.9 mm -117.68 144.25 26.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.025 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 28.4 p -168.31 151.48 5.5 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.947 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.47 171.34 0.21 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.52 2.147 . . . . 0.0 112.291 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.34 117.5 3.69 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.596 2.197 . . . . 0.0 112.247 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 42.2 mttp 60.19 102.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -172.2 -41.67 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.981 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.54 102.49 0.89 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.424 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.9 tp -104.93 127.82 52.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.824 0.345 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -103.9 122.37 45.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.857 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -141.25 179.55 6.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.135 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.5 m -94.16 146.75 23.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.682 HG21 HD21 ' A' ' 15' ' ' LEU . 16.5 m -57.63 -30.19 36.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.211 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 93.9 p -60.11 -30.22 69.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.025 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.0 mttm -102.08 32.51 3.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.976 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 40.2 mt -146.06 145.02 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.167 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.7 t -121.77 172.4 8.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.94 123.36 32.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.938 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.686 ' HB1' HH21 ' A' ' 22' ' ' ARG . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.03 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.46 ' SD ' HG11 ' A' ' 80' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.799 0.333 . . . . 0.0 110.889 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.721 HD21 HD21 ' A' ' 33' ' ' LEU . 83.8 mt -61.01 -31.86 71.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.94 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 63.5 p -59.78 -30.78 69.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.979 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.81 -39.08 17.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.16 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.0 mt -70.04 -30.83 68.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.967 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.01 27.7 33.34 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.446 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 tp -123.64 164.72 18.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.837 0.351 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -125.42 148.76 48.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.773 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.2 mt -58.16 151.64 18.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.28 -28.46 15.64 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.483 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.26 170.49 16.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.821 0.343 . . . . 0.0 110.862 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -92.27 160.57 15.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 19.3 m -133.94 160.93 41.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 21.8 tp -95.95 121.13 37.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.817 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.62 HD23 HG23 ' A' ' 83' ' ' ILE . 21.5 mt -105.66 113.1 26.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.028 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 56.28 24.16 7.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.343 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 54.3 41.2 70.46 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.699 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -155.88 -48.68 0.08 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.823 0.344 . . . . 0.0 110.885 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.45 142.31 29.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.952 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.1 p -112.46 134.33 54.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -132.95 -174.06 13.49 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.461 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.7 m -124.2 122.82 38.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.875 0.369 . . . . 0.0 110.982 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.721 HD21 HD21 ' A' ' 12' ' ' LEU . 21.9 tp -68.33 123.76 21.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -113.12 -58.95 2.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -117.09 158.8 23.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.3 t -154.45 148.43 25.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 122.23 -146.25 16.8 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.512 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -106.42 141.46 37.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.848 0.356 . . . . 0.0 110.949 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 34.9 p -83.89 -178.31 6.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -105.26 -40.68 5.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.973 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -68.45 -31.53 70.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.936 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -131.36 -173.59 3.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.116 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 24.4 p -128.64 143.43 50.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 129.5 169.72 12.6 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.502 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -79.13 101.42 7.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.751 0.31 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -109.6 153.79 23.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.949 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.534 ' CG2' HD12 ' A' ' 83' ' ' ILE . 16.8 m -143.51 127.09 13.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -80.54 121.91 5.57 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.474 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.522 HG11 HD21 ' A' ' 25' ' ' LEU . 21.6 t -120.69 132.03 71.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.802 0.334 . . . . 0.0 111.133 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -95.65 115.03 26.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 18.5 mt -61.29 115.41 3.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.934 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.18 -31.38 70.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.934 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -94.77 161.51 28.42 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.998 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.56 83.73 0.82 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.547 2.164 . . . . 0.0 112.274 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -160.02 173.66 15.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.956 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 115.72 177.24 18.45 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.601 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.02 31.46 2.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.783 0.325 . . . . 0.0 110.801 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -145.28 167.98 21.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.852 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -129.48 26.01 5.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.031 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 94.34 -24.86 25.35 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.619 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 t -115.08 141.1 48.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.812 0.339 . . . . 0.0 110.978 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.6 t -123.19 113.52 38.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 63.83 -90.57 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.526 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -129.13 23.03 4.99 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.583 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.1 t -128.75 129.61 68.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.833 0.349 . . . . 0.0 110.971 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 34.3 ttm-85 -111.94 134.1 53.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.935 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -115.06 -42.14 3.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 30.1 p90 -159.22 -177.72 6.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.76 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 15.5 mt -126.19 142.77 41.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 8.7 p -161.1 160.84 24.52 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.6 172.06 0.18 Allowed 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.604 2.203 . . . . 0.0 112.253 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.29 106.26 0.14 Allowed 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.51 2.14 . . . . 0.0 112.343 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt 60.63 83.62 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.953 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.65 28.28 0.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.941 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -158.54 149.14 19.18 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.488 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -150.51 149.76 30.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.781 0.324 . . . . 0.0 110.946 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -106.07 123.88 48.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.579 ' HB3' HD11 ' A' ' 83' ' ' ILE . . . -132.54 179.58 6.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.17 160.27 14.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.46 HG11 ' SD ' ' A' ' 11' ' ' MET . 17.3 m -58.35 -34.57 50.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.165 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 31.7 t -67.51 -27.13 66.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.956 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.27 22.95 7.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.135 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.62 HG23 HD23 ' A' ' 25' ' ' LEU . 28.3 mt -150.72 156.47 6.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.033 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.449 ' N ' HG22 ' A' ' 83' ' ' ILE . 1.5 m -135.22 141.23 45.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -60.35 123.0 15.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.044 -179.98 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.67 ' HE1' HG13 ' A' ' 80' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.772 0.32 . . . . 0.0 110.87 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.7 mt -73.35 -37.01 66.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.4 m -64.5 -39.08 93.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.03 -50.69 65.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.101 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.681 HD11 HG11 ' A' ' 80' ' ' VAL . 14.5 mt -64.07 -67.16 0.45 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 131.63 43.42 0.17 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.49 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.525 HD13 ' HG2' ' A' ' 85' ' ' LYS . 1.1 tp -139.05 154.03 48.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.812 0.339 . . . . 0.0 110.902 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.1 mtt-85 -115.02 149.55 37.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 70.0 mt -59.09 167.92 1.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.916 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.94 19.4 50.33 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.649 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -108.25 167.34 10.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.841 0.353 . . . . 0.0 110.918 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.16 154.99 16.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.3 m -138.12 169.25 18.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.152 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.5 tp -110.89 113.82 26.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.908 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.485 HD12 HD23 ' A' ' 51' ' ' LEU . 79.9 mt -90.5 123.1 33.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 61.27 28.05 17.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.98 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 56.84 27.21 55.85 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.585 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 -152.26 -64.68 0.17 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.833 0.349 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.56 152.91 24.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.821 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.7 p -114.56 132.09 56.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -140.96 155.97 25.26 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.546 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.14 128.67 53.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.362 . . . . 0.0 110.874 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.753 HD11 ' HB ' ' A' ' 47' ' ' VAL . 8.9 tp -77.24 147.64 36.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.816 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.426 ' HD3' ' CG ' ' A' ' 68' ' ' PHE . 12.0 mtp180 -142.11 -46.84 0.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -113.66 150.17 33.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.502 ' HA ' HG12 ' A' ' 47' ' ' VAL . 30.4 p -142.75 143.0 32.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 112.39 178.56 19.82 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.525 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 73.7 p -59.1 162.19 4.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.724 0.297 . . . . 0.0 110.966 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.846 HG23 ' HB2' ' A' ' 46' ' ' TRP . 9.7 p -104.89 -178.88 3.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.86 -28.02 13.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -113.58 37.77 3.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.991 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.529 ' HB3' ' OG1' ' A' ' 39' ' ' THR . . . -174.68 160.65 3.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.18 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 12.5 t -104.45 150.54 24.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 95.39 178.45 37.05 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.448 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -82.68 130.91 35.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.81 0.338 . . . . 0.0 110.959 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.846 ' HB2' HG23 ' A' ' 39' ' ' THR . 25.2 m95 -129.34 161.61 29.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.753 ' HB ' HD11 ' A' ' 33' ' ' LEU . 8.5 m -146.41 130.65 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.108 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -77.55 122.39 6.08 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.443 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.701 HG21 HD13 ' A' ' 83' ' ' ILE . 21.4 t -122.64 144.58 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.348 . . . . 0.0 111.16 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -112.14 110.0 20.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.82 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.485 HD23 HD12 ' A' ' 25' ' ' LEU . 56.1 mt -59.99 143.52 51.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -79.47 -53.28 7.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -74.2 156.59 87.46 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.8 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -59.58 80.91 0.06 OUTLIER 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.616 2.211 . . . . 0.0 112.281 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -151.98 138.85 18.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.818 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 149.31 171.76 18.27 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.462 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.5 tptp -141.92 31.59 1.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.805 0.336 . . . . 0.0 110.855 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -159.32 163.26 35.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -106.38 33.05 4.05 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.94 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.434 ' HA3' ' CE2' ' A' ' 68' ' ' PHE . . . 65.07 28.53 73.65 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.478 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 35.7 t -157.56 160.38 38.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.803 0.335 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.453 HG12 ' N ' ' A' ' 63' ' ' GLY . 21.4 t -130.6 156.99 42.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.085 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.453 ' N ' HG12 ' A' ' 62' ' ' VAL . . . -59.73 90.76 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.452 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 127.7 -28.68 4.39 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.461 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.6 t -137.7 130.15 41.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.809 0.337 . . . . 0.0 111.16 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.3 ttm105 -107.66 113.21 26.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -84.51 -43.62 14.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.434 ' CE2' ' HA3' ' A' ' 60' ' ' GLY . 15.8 p90 -169.09 178.21 4.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.915 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 1.3 pp -119.68 140.12 44.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.056 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 10.1 p -163.27 161.2 18.28 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.943 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_exo -51.74 167.96 0.38 Allowed 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.566 2.178 . . . . 0.0 112.233 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -60.94 123.39 12.85 Favored 'Trans proline' 0 C--N 1.345 0.395 0 C-N-CA 122.534 2.156 . . . . 0.0 112.215 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.82 88.77 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -165.86 -42.91 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -71.27 135.11 23.6 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.503 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -141.18 134.71 29.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.814 0.34 . . . . 0.0 110.866 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -101.92 140.77 35.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.827 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.638 ' HB3' HD11 ' A' ' 83' ' ' ILE . . . -159.64 176.31 12.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.159 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 51.1 m -99.91 157.51 16.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.681 HG11 HD11 ' A' ' 15' ' ' LEU . 5.2 m -56.85 -28.35 28.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.298 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 29.9 p -62.04 -30.75 71.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.958 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -106.49 27.85 8.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.067 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.701 HD13 HG21 ' A' ' 49' ' ' VAL . 37.0 mt -148.82 139.01 16.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.977 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.23 177.3 4.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.525 ' HG2' HD13 ' A' ' 17' ' ' LEU . 1.5 mtmt -94.63 44.58 1.11 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.978 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 179.987 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 74.0 mmm . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.752 0.311 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.429 HD21 HD21 ' A' ' 33' ' ' LEU . 62.3 mt -58.05 -31.61 67.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.58 -31.59 47.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.88 -46.04 15.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.158 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 47.9 mt -61.04 -63.36 1.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.955 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 128.73 42.24 0.25 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.508 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.456 HD13 ' CG ' ' A' ' 85' ' ' LYS . 18.2 tp -154.94 149.19 26.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.836 0.35 . . . . 0.0 110.835 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.8 mtt-85 -115.61 167.68 10.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.835 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.513 ' HA ' HD23 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -75.55 148.54 38.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.04 -33.7 6.36 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.582 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.43 167.12 22.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.863 0.364 . . . . 0.0 110.799 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.4 mtt-85 -85.96 158.39 19.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.941 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 23.2 m -134.59 156.37 40.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.138 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.501 ' HB2' ' HB2' ' A' ' 86' ' ' ALA . 11.6 tp -99.3 116.49 31.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.578 HD23 HG23 ' A' ' 83' ' ' ILE . 25.5 mt -102.43 121.74 42.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 59.68 25.4 14.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.034 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 55.58 50.43 60.48 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.701 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.85 -70.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.841 0.353 . . . . 0.0 110.962 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.4 135.12 55.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.69 144.83 25.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -142.41 167.68 26.06 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.519 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.87 123.24 45.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.83 0.348 . . . . 0.0 110.868 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.513 HD23 ' HA ' ' A' ' 19' ' ' LEU . 10.6 tp -64.27 137.32 57.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.2 mmp_? -131.41 -46.08 0.99 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.447 ' CD1' ' N ' ' A' ' 36' ' ' CYS . 47.8 t80 -139.71 156.81 46.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.6 ' HA ' HG12 ' A' ' 47' ' ' VAL . 49.6 t -148.87 149.02 30.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 116.89 -145.37 18.69 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.467 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 58.8 p -80.92 -178.76 7.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.788 0.327 . . . . 0.0 110.943 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.517 ' OG1' ' HB3' ' A' ' 42' ' ' ALA . 0.8 OUTLIER -138.86 -177.91 5.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -98.56 -32.33 11.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.909 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 9.1 p90 -106.66 28.06 8.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.968 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.517 ' HB3' ' OG1' ' A' ' 39' ' ' THR . . . -166.57 158.15 13.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.092 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 28.8 t -126.29 119.88 28.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 137.37 -131.29 5.47 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.462 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -111.38 122.3 47.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.808 0.337 . . . . 0.0 110.917 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 91.4 m95 -145.99 149.86 34.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.634 HG22 ' O ' ' A' ' 78' ' ' ALA . 27.3 m -142.69 146.86 21.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.162 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -94.14 119.68 6.11 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.53 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.467 HG21 HD13 ' A' ' 83' ' ' ILE . 21.4 t -121.75 141.9 40.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.908 0.385 . . . . 0.0 111.119 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -105.23 112.42 25.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 37.1 mt -63.98 131.2 46.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.021 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -70.64 -33.16 70.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.826 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.49 154.7 79.03 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -67.48 66.51 0.76 Allowed 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.54 2.16 . . . . 0.0 112.254 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -157.24 146.8 20.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 179.23 -149.42 8.76 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.497 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.81 -46.23 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.823 0.344 . . . . 0.0 110.948 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -104.1 158.85 16.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.948 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -101.67 24.96 9.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 95.43 -32.93 5.81 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.675 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 t -112.39 139.09 48.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.806 0.336 . . . . 0.0 111.003 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.9 t -152.26 142.37 15.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 58.86 23.85 56.91 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.623 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 95.67 -32.27 6.44 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.527 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.5 t -80.4 138.66 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.846 0.355 . . . . 0.0 111.152 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.4 ttt85 -111.6 118.98 37.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -88.5 -33.65 17.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.906 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 32.2 p90 -175.96 -179.25 1.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.904 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.2 pt -119.05 135.06 60.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.072 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 30.8 p -161.05 160.74 24.65 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_exo -51.26 167.62 0.33 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.531 2.154 . . . . 0.0 112.295 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -60.37 125.05 16.42 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.601 2.2 . . . . 0.0 112.156 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.3 mtmm 61.82 88.91 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.797 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -166.59 -42.53 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.986 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.3 111.82 4.26 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.528 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.38 141.05 52.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.845 0.355 . . . . 0.0 110.907 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -104.81 137.21 42.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.634 ' O ' HG22 ' A' ' 47' ' ' VAL . . . -146.59 166.55 26.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.64 149.51 26.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 17.8 m -57.45 -37.64 58.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.246 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.4 t -65.02 -24.94 67.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.093 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -97.14 27.56 4.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.157 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.631 HD11 ' HB3' ' A' ' 78' ' ' ALA . 34.2 mt -149.96 143.12 17.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.105 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.3 m -119.35 179.67 4.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.456 ' CG ' HD13 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -90.05 122.22 32.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.971 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.501 ' HB2' ' HB2' ' A' ' 24' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.076 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 7.4 mmt . . . . . 0 CA--C 1.527 0.068 0 CA-C-O 120.742 0.306 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.829 HD22 ' O ' ' A' ' 17' ' ' LEU . 9.4 mt -57.85 -35.27 70.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.969 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 97.1 p -66.71 -32.25 73.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.931 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.53 -31.36 47.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.055 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.4 mt -84.19 -49.88 8.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.861 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.89 39.79 2.26 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.468 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.829 ' O ' HD22 ' A' ' 12' ' ' LEU . 5.9 tp -132.49 166.24 22.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.768 0.318 . . . . 0.0 110.877 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.9 mtt180 -125.15 156.95 37.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.433 HD22 ' C ' ' A' ' 34' ' ' ARG . 94.5 mt -64.79 106.1 1.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 144.49 -27.98 1.94 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.596 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -72.45 173.28 9.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.915 0.388 . . . . 0.0 110.853 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.52 155.11 17.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 26.2 m -140.34 156.76 24.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.101 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' A' ' 24' ' ' LEU . 12.4 tp -96.09 119.2 34.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.88 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.687 HD12 HD23 ' A' ' 51' ' ' LEU . 33.3 mt -102.21 118.91 37.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 t70 60.59 26.84 16.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 55.62 26.97 47.61 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.522 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -144.35 -71.43 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.841 0.353 . . . . 0.0 110.837 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.7 171.0 5.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.7 p -140.87 143.12 34.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -149.96 177.25 28.21 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.484 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.7 m -111.3 132.89 54.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.789 0.328 . . . . 0.0 110.838 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.691 ' CD2' HD21 ' A' ' 12' ' ' LEU . 19.7 tp -71.89 131.15 42.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.433 ' C ' HD22 ' A' ' 19' ' ' LEU . 2.3 mtp180 -125.33 -44.4 1.87 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.4 ' CD2' ' N ' ' A' ' 36' ' ' CYS . 70.0 t80 -122.27 162.12 22.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.939 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.577 ' SG ' HG12 ' A' ' 47' ' ' VAL . 2.4 t -157.7 136.18 11.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 128.41 -154.42 19.98 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.521 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.9 t -65.96 -171.17 0.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.823 0.344 . . . . 0.0 110.961 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.51 HG23 ' HB2' ' A' ' 46' ' ' TRP . 0.8 OUTLIER -145.26 -177.25 5.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.9 -31.54 17.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -105.61 31.14 5.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.414 ' HB3' ' OG1' ' A' ' 39' ' ' THR . . . -175.66 160.5 2.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 96.8 p -110.01 -30.6 7.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.32 -163.57 0.1 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.525 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -87.89 136.69 32.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.836 0.35 . . . . 0.0 110.882 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.51 ' HB2' HG23 ' A' ' 39' ' ' THR . 49.2 m95 -143.52 168.43 19.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.577 HG12 ' SG ' ' A' ' 36' ' ' CYS . 30.9 m -151.1 138.28 13.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.061 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -96.47 121.16 6.89 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.549 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.0 t -127.03 145.86 33.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.883 0.373 . . . . 0.0 111.047 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -101.86 111.58 23.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.687 HD23 HD12 ' A' ' 25' ' ' LEU . 6.7 mt -63.87 123.72 19.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.868 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -60.83 -31.42 70.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.95 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -83.39 160.26 59.9 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.1 62.67 2.56 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.624 2.216 . . . . 0.0 112.313 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -156.74 157.16 34.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 153.13 -33.53 0.79 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.534 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.23 34.36 20.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.804 0.335 . . . . 0.0 110.913 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -155.01 143.42 20.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -108.78 34.4 3.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.51 28.41 71.21 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.555 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.9 t -152.45 149.09 28.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.856 0.36 . . . . 0.0 110.909 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.5 t -150.41 118.35 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.094 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 63.04 -121.34 24.44 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.454 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -103.49 29.58 12.01 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.546 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.5 t -133.77 152.21 34.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.856 0.36 . . . . 0.0 111.104 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.7 ttm-85 -126.33 153.09 45.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -127.32 -45.14 1.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 23.6 p90 -171.45 165.22 7.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 23.2 pt -105.28 129.76 57.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.062 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 25.8 p -152.06 161.25 29.96 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_exo -51.47 168.08 0.32 Allowed 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.533 2.156 . . . . 0.0 112.203 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -56.03 114.55 1.95 Allowed 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.568 2.179 . . . . 0.0 112.162 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 21.0 mttt 62.5 96.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -159.82 -45.5 0.05 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.9 162.02 39.58 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.51 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LEU . . . . . 0.441 HD22 HD11 ' A' ' 51' ' ' LEU . 15.1 tp -160.01 119.85 2.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.855 0.359 . . . . 0.0 110.827 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -99.49 133.15 44.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -156.4 179.98 8.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.05 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 25.0 m -87.28 152.62 22.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 10.3 m -59.76 -30.75 45.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.126 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.31 -30.86 69.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.951 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -97.99 27.48 4.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.01 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.524 HD12 ' CG2' ' A' ' 47' ' ' VAL . 22.4 mt -150.5 146.86 16.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.034 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 68.3 m -124.08 179.42 4.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -96.82 41.37 1.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.83 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.087 179.953 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.818 0.342 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.4 mt -59.76 -33.49 71.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.762 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.4 t -76.05 -38.15 57.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.97 -31.01 70.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.182 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.834 HD11 HG11 ' A' ' 80' ' ' VAL . 3.8 mt -93.43 -61.54 1.54 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 123.62 40.16 0.47 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.433 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.6 tp -138.77 158.97 43.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.882 0.372 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -128.7 159.11 36.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 50.6 mt -62.84 149.42 44.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.65 -30.86 8.54 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.462 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -74.99 154.96 37.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.784 0.326 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -86.64 156.84 19.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.739 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.4 m -141.15 178.83 2.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.102 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.5 tp -119.65 117.25 27.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.932 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.611 HD23 HG23 ' A' ' 83' ' ' ILE . 13.1 mt -98.17 131.3 44.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.824 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 59.72 25.5 14.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.036 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 54.97 41.72 78.07 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.579 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -164.99 -68.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.864 0.364 . . . . 0.0 110.919 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.43 144.77 56.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 43.8 p -112.52 138.68 48.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -146.12 -178.44 21.56 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.507 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 64.7 m -123.91 126.06 45.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.812 0.339 . . . . 0.0 110.874 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.498 HD12 HG22 ' A' ' 49' ' ' VAL . 14.0 tp -67.9 114.77 6.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.425 ' HB3' ' CD1' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -105.19 -36.51 7.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -135.28 160.16 39.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.805 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.555 ' SG ' HG12 ' A' ' 47' ' ' VAL . 24.4 t -159.66 147.52 17.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.942 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 119.79 -168.26 13.61 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.484 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.0 t -71.37 -171.27 0.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.838 0.352 . . . . 0.0 110.882 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 21.4 p -135.57 175.92 9.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -109.41 28.24 8.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 19.6 p90 -161.33 29.07 0.13 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.964 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -177.76 137.17 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.084 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.4 m -91.18 84.27 5.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.845 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -176.79 -163.89 29.79 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.529 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -109.4 136.5 48.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.858 0.361 . . . . 0.0 110.893 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 81.7 m95 -143.35 162.52 35.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.961 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.598 HG22 ' O ' ' A' ' 78' ' ' ALA . 5.4 m -151.21 128.59 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -85.02 125.05 7.02 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.52 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.498 HG22 HD12 ' A' ' 33' ' ' LEU . 21.3 t -133.32 133.03 58.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.894 0.378 . . . . 0.0 111.131 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -81.35 132.46 35.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.802 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 92.3 mt -84.27 123.19 29.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.972 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -58.01 -49.01 78.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.937 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -84.01 161.43 55.31 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.815 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -68.44 78.47 0.65 Allowed 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.481 2.121 . . . . 0.0 112.283 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -142.02 165.36 27.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.809 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 109.59 -172.77 16.31 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.546 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -153.9 32.03 0.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.851 0.357 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 53.7 m-80 -151.63 141.84 22.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -101.48 31.47 3.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 85.78 28.69 28.44 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.512 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 73.9 p -149.75 117.77 6.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.85 0.357 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.7 t -119.93 122.88 69.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.142 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 59.71 -124.75 37.22 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.448 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -105.76 32.2 7.65 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.472 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.5 t -141.99 121.81 10.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.81 0.338 . . . . 0.0 111.106 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.0 ttp-105 -100.04 141.13 33.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -113.9 -43.89 3.22 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.981 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.425 ' CD1' ' HB3' ' A' ' 34' ' ' ARG . 49.8 p90 -165.47 -176.47 3.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.976 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.403 HG22 ' N ' ' A' ' 70' ' ' CYS . 26.3 mt -120.02 154.09 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.138 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.403 ' N ' HG22 ' A' ' 69' ' ' ILE . 4.9 p -171.11 157.88 5.02 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo -57.63 171.92 1.26 Allowed 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.657 2.238 . . . . 0.0 112.311 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_exo -51.95 119.02 5.08 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.589 2.192 . . . . 0.0 112.485 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt 58.26 76.18 0.35 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.076 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -157.17 26.2 0.31 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.072 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -144.59 116.48 0.95 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.477 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.0 tp -123.68 144.79 49.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.935 0.398 . . . . 0.0 110.82 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -121.71 126.62 49.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.598 ' O ' HG22 ' A' ' 47' ' ' VAL . . . -150.69 -179.97 7.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.142 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 m -85.96 158.38 19.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.834 HG11 HD11 ' A' ' 15' ' ' LEU . 10.3 m -61.61 -30.84 49.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.087 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 29.5 t -61.11 -27.82 68.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.981 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.9 mttp -97.75 30.32 3.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.019 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.611 HG23 HD23 ' A' ' 25' ' ' LEU . 24.2 mt -149.88 148.65 15.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.034 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 84.2 p -134.56 146.82 50.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.23 131.44 50.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.926 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.095 -179.964 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 8.3 tpt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.859 0.362 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 1.025 HD23 HD12 ' A' ' 15' ' ' LEU . 6.7 mt -70.85 -28.67 64.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.972 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.6 p -56.93 -30.31 63.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.86 -30.94 26.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.121 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 1.025 HD12 HD23 ' A' ' 12' ' ' LEU . 37.4 mt -72.36 -53.92 10.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 116.62 33.64 1.4 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.528 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.402 HD13 ' HG3' ' A' ' 85' ' ' LYS . 1.3 tp -143.99 148.33 35.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.837 0.351 . . . . 0.0 110.932 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -99.16 172.66 7.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.558 HD21 ' SG ' ' A' ' 36' ' ' CYS . 85.3 mt -82.72 145.93 29.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.59 -29.37 10.48 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.481 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -69.31 150.89 46.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.762 0.315 . . . . 0.0 110.966 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.8 149.46 41.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.563 HG22 ' O ' ' A' ' 31' ' ' GLY . 21.9 m -134.27 167.31 26.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.131 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.7 tp -107.95 100.87 10.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.665 HD21 HG11 ' A' ' 49' ' ' VAL . 35.6 mt -75.41 126.26 30.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 59.9 23.48 12.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.126 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 54.44 51.71 49.72 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.719 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -176.21 -49.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.884 0.373 . . . . 0.0 110.939 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -82.0 143.13 31.8 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 40.6 p -99.26 118.49 36.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.944 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.563 ' O ' HG22 ' A' ' 23' ' ' VAL . . . -130.17 138.74 10.42 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.43 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 63.1 m -88.49 116.39 26.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.801 0.334 . . . . 0.0 110.964 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.817 HD12 HG22 ' A' ' 49' ' ' VAL . 9.1 tp -75.04 147.05 41.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.801 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.46 ' O ' HD22 ' A' ' 19' ' ' LEU . 1.6 mmp_? -135.84 -46.62 0.66 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.992 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -121.85 155.49 35.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.564 ' HA ' HG12 ' A' ' 47' ' ' VAL . 30.6 p -148.77 134.69 19.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.84 -132.59 6.09 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.497 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.2 t -108.69 172.59 6.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.829 0.347 . . . . 0.0 110.845 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.1 p -111.19 179.22 4.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -103.23 -29.62 11.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.03 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.411 ' CD2' HG11 ' A' ' 62' ' ' VAL . 25.5 p90 -86.81 -29.69 22.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.958 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -129.69 -169.73 2.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.043 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.5 -178.86 5.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 86.63 -170.17 41.88 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.514 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -77.67 123.49 26.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.861 0.362 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 88.8 m95 -147.9 151.34 35.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.573 HG22 ' O ' ' A' ' 78' ' ' ALA . 27.6 m -150.02 148.18 15.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.153 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -93.72 124.44 7.84 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.509 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.817 HG22 HD12 ' A' ' 33' ' ' LEU . 14.5 t -133.17 144.38 36.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.855 0.36 . . . . 0.0 111.114 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -104.85 118.37 36.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 84.7 mt -66.9 130.73 44.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.857 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -64.01 -40.28 96.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -79.24 160.97 69.57 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.57 64.19 2.27 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.551 2.167 . . . . 0.0 112.261 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -146.46 159.57 43.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 156.76 -165.25 33.01 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.472 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -154.9 30.4 0.41 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.806 0.336 . . . . 0.0 110.883 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -173.89 159.69 3.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -108.33 31.19 5.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 73.27 33.14 59.34 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.535 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.0 m -158.95 148.52 18.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.816 0.341 . . . . 0.0 110.913 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.411 HG11 ' CD2' ' A' ' 41' ' ' PHE . 21.5 t -141.69 107.08 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.185 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 59.6 -114.12 5.94 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.542 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -100.42 28.25 16.69 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.575 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.5 t -135.43 149.66 28.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.857 0.36 . . . . 0.0 111.07 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.25 131.28 27.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -102.84 -31.86 10.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 19.6 p90 -170.29 170.16 7.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.8 mt -109.37 115.64 50.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 30.7 p -141.39 160.97 55.16 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.974 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.34 168.7 0.9 Allowed 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.628 2.218 . . . . 0.0 112.225 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -62.54 119.84 7.11 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.54 2.16 . . . . 0.0 112.231 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.9 mtmt 62.14 88.03 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -160.85 -44.01 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -81.08 148.58 28.57 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.535 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.3 tp -143.9 149.19 36.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.815 0.341 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -109.19 126.87 53.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.839 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.573 ' O ' HG22 ' A' ' 47' ' ' VAL . . . -139.56 167.68 21.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.075 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.7 m -81.08 147.54 30.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 7.3 m -59.0 -29.86 42.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.166 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.02 -29.45 70.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.001 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.4 mmpt? -98.58 31.73 2.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.582 HG23 HD23 ' A' ' 25' ' ' LEU . 35.7 mt -146.57 154.04 12.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.068 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.407 ' N ' HG22 ' A' ' 83' ' ' ILE . 0.3 OUTLIER -134.99 166.67 22.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LYS . . . . . 0.402 ' HG3' HD13 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -78.05 126.18 30.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.901 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' MET . . . . . 0.745 ' HB2' HG11 ' A' ' 80' ' ' VAL . 44.0 mmm . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.749 0.309 . . . . 0.0 111.073 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.509 HD11 ' SG ' ' A' ' 36' ' ' CYS . 46.0 mt -56.31 -34.18 66.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.026 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 m -68.96 -31.37 70.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.86 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.53 -39.42 58.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.094 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mt -75.48 -57.4 3.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 119.6 38.09 0.74 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.489 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.8 tp -132.74 154.4 50.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.795 0.331 . . . . 0.0 110.867 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.4 mtm-85 -109.24 168.95 9.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.951 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.4 mt -73.15 149.22 43.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.16 -37.44 3.48 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.515 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.6 167.45 5.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.839 0.352 . . . . 0.0 110.866 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.7 mtm-85 -87.84 163.98 16.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.4 m -142.31 149.09 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.172 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.1 tp -94.56 108.54 20.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.46 HD23 HG23 ' A' ' 83' ' ' ILE . 44.2 mt -88.79 123.4 33.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.941 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 59.41 24.58 13.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.062 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 54.49 26.95 39.74 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.729 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -146.16 -52.92 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.817 0.341 . . . . 0.0 110.932 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.37 166.53 23.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.953 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.5 p -135.9 129.68 32.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.936 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -141.92 162.79 27.07 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.507 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.9 m -101.76 140.57 35.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 0.0 110.879 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.503 HD21 ' SG ' ' A' ' 36' ' ' CYS . 13.4 tp -83.49 147.71 27.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.444 ' HD3' ' CG ' ' A' ' 68' ' ' PHE . 3.3 mtp85 -142.55 -54.49 0.42 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.87 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -117.11 152.75 34.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.509 ' SG ' HD11 ' A' ' 12' ' ' LEU . 53.6 m -154.87 149.21 26.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 118.49 -142.25 16.76 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.55 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.1 p -91.11 166.04 13.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 111.015 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.454 HG23 ' HB2' ' A' ' 46' ' ' TRP . 11.7 p -109.35 170.83 7.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -107.52 46.55 0.93 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PHE . . . . . 0.429 ' CD1' ' N ' ' A' ' 42' ' ' ALA . 25.9 p90 -167.67 -42.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.994 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.429 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . -105.78 -31.99 8.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.082 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.0 m 60.43 98.13 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 169.32 178.92 40.92 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.444 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.6 mp0 -60.28 99.93 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.81 0.338 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' TRP . . . . . 0.454 ' HB2' HG23 ' A' ' 39' ' ' THR . 99.2 m95 -137.63 153.14 49.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.462 HG22 ' O ' ' A' ' 78' ' ' ALA . 18.2 m -147.48 136.53 15.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.121 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -86.15 116.95 4.49 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.464 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.5 t -123.74 130.49 73.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.86 0.362 . . . . 0.0 111.159 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -93.95 120.68 34.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.557 HD12 ' O ' ' A' ' 55' ' ' GLU . 56.6 mt -75.45 132.52 40.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.47 -51.65 64.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -81.9 148.82 61.94 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -52.98 89.3 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.509 2.14 . . . . 0.0 112.326 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.557 ' O ' HD12 ' A' ' 51' ' ' LEU . 0.7 OUTLIER -157.36 130.31 7.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 157.21 172.39 24.37 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.444 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.7 mtmm -131.58 29.57 4.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.867 0.365 . . . . 0.0 110.953 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.47 ' OD1' HG22 ' A' ' 62' ' ' VAL . 9.6 m-80 -152.63 174.84 13.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -128.08 24.02 6.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.045 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 95.39 -29.13 10.01 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.617 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.8 m -117.65 135.92 53.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.759 0.314 . . . . 0.0 110.966 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.47 HG22 ' OD1' ' A' ' 58' ' ' ASN . 30.4 t -128.35 122.48 57.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.059 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 65.79 -102.24 0.68 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.46 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -127.41 28.08 4.59 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.498 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.4 t -133.46 132.05 57.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.84 0.352 . . . . 0.0 111.128 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 -105.24 123.21 47.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -99.78 -37.81 8.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.821 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.444 ' CG ' ' HD3' ' A' ' 34' ' ' ARG . 13.3 p90 -174.59 170.58 3.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 29.4 mt -110.59 115.65 50.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.084 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 31.5 p -142.66 160.36 53.96 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.948 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.78 169.09 0.9 Allowed 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.527 2.152 . . . . 0.0 112.108 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_endo -61.06 125.73 17.77 Favored 'Trans proline' 0 C--N 1.343 0.261 0 C-N-CA 122.549 2.166 . . . . 0.0 112.172 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.1 mttp 60.59 87.6 0.09 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -162.94 -43.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -67.86 131.55 28.52 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.485 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.5 tp -138.75 123.34 18.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.927 0.394 . . . . 0.0 110.928 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -104.31 102.35 12.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.462 ' O ' HG22 ' A' ' 47' ' ' VAL . . . -118.98 179.32 4.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.8 m -88.41 155.27 19.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.745 HG11 ' HB2' ' A' ' 11' ' ' MET . 10.6 m -59.76 -36.36 65.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.021 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.96 -25.44 66.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.083 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.6 mmmt -96.94 32.98 1.99 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.009 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.46 HG23 HD23 ' A' ' 25' ' ' LEU . 25.8 mt -148.22 155.33 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.111 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.423 ' N ' HG22 ' A' ' 83' ' ' ILE . 8.5 t -133.02 159.57 39.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -67.44 132.5 47.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.162 179.988 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.194 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.2 t 60.38 91.85 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.886 0.374 . . . . 0.0 110.941 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 p -157.6 172.06 19.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.04 84.1 0.17 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.511 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -119.33 116.66 26.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.864 0.364 . . . . 0.0 110.844 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.4 m -113.76 -37.68 4.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.982 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.9 103.4 0.71 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.528 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 126.74 43.98 0.25 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.486 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 26.0 m-20 -103.93 34.28 3.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.727 0.299 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 tp -100.14 -28.35 13.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.008 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.19 -60.3 2.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.074 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.579 HD22 ' HB3' ' A' ' 17' ' ' LEU . 18.3 mt -58.71 -40.11 82.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.051 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 60.5 p -58.46 -38.6 77.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.974 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.59 -33.0 62.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.9 mt -74.71 -49.08 22.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.919 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 119.14 37.06 0.83 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.468 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.579 ' HB3' HD22 ' A' ' 12' ' ' LEU . 13.0 tp -137.58 159.63 41.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.786 0.327 . . . . 0.0 110.933 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.2 mtm180 -129.81 174.47 9.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.441 HD22 ' O ' ' A' ' 34' ' ' ARG . 96.2 mt -76.64 152.42 35.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.72 -38.52 3.09 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.517 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -66.8 160.86 25.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.792 0.329 . . . . 0.0 110.857 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -99.45 157.74 16.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.2 m -136.12 164.57 31.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.482 HD12 HG22 ' A' ' 30' ' ' THR . 7.9 tp -96.98 114.43 26.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.811 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 80.9 mt -87.07 116.42 25.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 60.79 27.45 17.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.98 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.4 ' HA2' HD23 ' A' ' 24' ' ' LEU . . . 57.44 30.91 62.35 Favored Glycine 0 C--N 1.331 0.263 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.485 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -146.57 -69.68 0.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.83 0.348 . . . . 0.0 110.861 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.2 163.96 21.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.482 HG22 HD12 ' A' ' 24' ' ' LEU . 62.9 p -133.57 137.34 45.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.893 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -145.57 169.38 27.12 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.507 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.5 m -104.51 131.79 51.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.808 0.337 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.468 HD21 HD11 ' A' ' 12' ' ' LEU . 8.5 tp -71.73 140.55 49.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.441 ' O ' HD22 ' A' ' 19' ' ' LEU . 0.7 OUTLIER -139.77 -47.96 0.46 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.838 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -110.79 150.47 29.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.835 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 30.4 p -158.74 121.18 3.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 144.25 -140.68 9.54 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 29.4 p -87.9 -177.2 5.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.817 0.341 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -134.83 170.45 15.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -107.0 -45.55 4.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.926 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -72.48 -26.82 61.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.989 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -126.27 -168.7 1.9 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.972 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 38.6 p -129.72 176.42 8.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 81.53 -148.59 27.93 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.528 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -115.46 127.39 55.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.831 0.348 . . . . 0.0 110.923 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 57.7 m95 -134.59 175.28 9.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.525 HG22 ' O ' ' A' ' 78' ' ' ALA . 29.6 m -152.44 141.63 14.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.18 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -94.74 122.15 7.06 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.458 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.411 HG22 HD12 ' A' ' 33' ' ' LEU . 21.4 t -125.19 135.65 63.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.792 0.33 . . . . 0.0 111.222 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -95.72 126.76 41.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.657 HD12 ' HA2' ' A' ' 56' ' ' GLY . 79.5 mt -71.87 124.11 24.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.946 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -65.25 -58.1 6.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.0 164.78 9.57 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.98 72.4 1.55 Allowed 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.53 2.153 . . . . 0.0 112.278 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -154.06 169.67 22.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.657 ' HA2' HD12 ' A' ' 51' ' ' LEU . . . 149.6 -169.94 29.8 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.565 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.3 ttmm -139.59 -58.88 0.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.772 0.32 . . . . 0.0 110.936 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -101.54 158.37 16.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.942 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.06 39.57 1.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 61.6 28.33 69.58 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.465 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -144.48 119.59 10.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.776 0.322 . . . . 0.0 110.918 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.5 t -124.67 110.76 25.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.104 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 59.49 -118.78 15.48 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.509 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -100.77 26.19 25.55 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.531 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 30.3 t -128.57 133.01 67.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.886 0.374 . . . . 0.0 111.055 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -115.74 135.43 54.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -113.36 -38.32 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 24.0 p90 -177.13 150.71 0.76 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.5 mp -98.79 99.11 8.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.108 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 30.8 p -113.54 160.32 32.14 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.17 178.4 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.636 2.224 . . . . 0.0 112.329 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.26 105.9 0.13 Allowed 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.652 2.235 . . . . 0.0 112.337 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? 59.44 85.96 0.1 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.981 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -152.08 27.31 0.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -139.73 133.97 6.37 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.51 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.3 tt -140.05 133.06 29.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.815 0.34 . . . . 0.0 110.944 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -103.4 136.73 42.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.525 ' O ' HG22 ' A' ' 47' ' ' VAL . . . -154.63 166.02 34.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.058 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -78.48 146.9 34.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.922 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.449 ' HA ' HD12 ' A' ' 83' ' ' ILE . 17.9 m -58.28 -30.56 40.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.133 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.2 t -63.62 -28.99 70.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -98.09 30.68 2.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.973 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.449 HD12 ' HA ' ' A' ' 80' ' ' VAL . 37.9 mt -139.92 152.64 22.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.049 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.2 m -129.32 156.97 43.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.951 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -80.46 111.85 17.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.903 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -83.95 -177.84 6.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.077 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.6 t 64.06 133.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.113 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 60.48 92.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.852 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -112.15 30.23 7.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.107 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 22.7 t -118.29 115.13 24.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.816 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 173.24 -138.84 4.84 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.491 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -50.15 133.88 36.15 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.495 2.13 . . . . 0.0 112.407 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 33.7 t -165.2 146.02 7.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 m -152.09 -47.19 0.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.973 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.315 -1.269 . . . . 0.0 112.509 -179.982 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.168 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.8 m -126.39 -46.09 1.64 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.808 0.337 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -102.18 -68.39 0.83 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.79 -68.8 3.48 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.501 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -111.62 134.73 52.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.857 0.36 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.0 m -94.29 132.81 38.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.93 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.32 -86.08 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.487 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -66.34 -99.75 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.529 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -153.24 174.73 13.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.855 0.36 . . . . 0.0 110.942 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 tp -81.9 -32.54 30.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.46 ' SD ' HG21 ' A' ' 80' ' ' VAL . 0.0 OUTLIER -88.29 -43.53 11.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.577 HD22 ' O ' ' A' ' 17' ' ' LEU . 14.9 mt -59.79 -31.43 69.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.3 p -68.16 -37.53 81.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.937 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.68 -33.68 74.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.411 HD11 HG11 ' A' ' 80' ' ' VAL . 29.3 mt -87.94 -34.27 18.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.14 41.69 17.24 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.509 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.577 ' O ' HD22 ' A' ' 12' ' ' LEU . 6.8 tp -124.99 155.21 40.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.782 0.325 . . . . 0.0 110.902 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.3 mtt-85 -114.05 150.12 34.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 19.3 mt -60.27 148.84 35.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.36 -36.57 4.32 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.452 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -69.46 152.01 45.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.838 0.351 . . . . 0.0 110.885 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.445 ' HB2' HG23 ' A' ' 87' ' ' VAL . 3.1 mpp_? -79.94 162.54 24.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.3 m -147.42 148.31 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.16 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 24' ' ' LEU . 7.9 tp -84.81 119.27 25.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.626 HD21 HG11 ' A' ' 49' ' ' VAL . 17.2 mt -102.54 126.37 49.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.2 t0 59.26 22.68 11.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.1 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 54.03 52.93 40.06 Favored Glycine 0 CA--C 1.518 0.277 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.689 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -176.75 -47.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.78 0.324 . . . . 0.0 110.96 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -82.27 160.2 22.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 47.4 p -128.23 123.95 35.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.89 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -135.41 179.07 18.1 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.51 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.9 m -115.61 144.63 43.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.822 0.344 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.536 HD21 ' SG ' ' A' ' 36' ' ' CYS . 12.3 tp -80.03 120.52 24.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.423 ' HD3' ' CG ' ' A' ' 68' ' ' PHE . 4.6 mtp180 -118.45 -45.28 2.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.02 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -128.34 146.18 50.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.536 ' SG ' HD21 ' A' ' 33' ' ' LEU . 62.3 m -151.21 123.04 8.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.969 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 158.02 -134.22 3.8 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.516 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.0 p -117.66 -175.86 2.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.865 0.364 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 16.9 p -119.68 178.83 4.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.948 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -113.11 -36.31 5.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.475 ' CZ ' HG11 ' A' ' 62' ' ' VAL . 26.3 p90 -72.24 -30.33 64.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -134.79 173.38 11.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.078 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 83.1 p -112.4 138.77 48.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.959 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 141.7 -166.18 26.28 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.478 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -112.73 121.35 44.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.824 0.345 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 37.0 m95 -131.68 164.85 25.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.607 HG22 ' O ' ' A' ' 78' ' ' ALA . 11.7 m -148.36 131.59 7.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.164 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -86.93 122.35 6.11 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.452 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.626 HG11 HD21 ' A' ' 25' ' ' LEU . 29.2 t -127.4 130.68 70.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.797 0.332 . . . . 0.0 111.12 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -88.31 121.05 30.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 16.4 mt -71.59 139.13 49.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.92 -67.73 0.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.97 164.07 61.75 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.836 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -66.94 80.22 0.36 Allowed 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.52 2.147 . . . . 0.0 112.289 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -144.58 161.94 37.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 127.55 -154.5 19.64 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.545 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.73 -46.88 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.804 0.335 . . . . 0.0 110.893 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 75.4 m-80 -90.58 150.87 21.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.948 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -98.75 35.78 1.79 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 84.44 28.57 32.61 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.544 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.03 158.11 43.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.794 0.33 . . . . 0.0 110.87 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.475 HG11 ' CZ ' ' A' ' 41' ' ' PHE . 21.5 t -144.85 101.66 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.174 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 65.44 -102.7 0.7 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.478 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -117.99 28.82 6.8 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.505 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.5 t -135.75 116.61 18.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.765 0.317 . . . . 0.0 111.098 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -101.36 140.63 35.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.411 ' CD1' ' N ' ' A' ' 67' ' ' TYR . 4.9 m-85 -118.05 -40.79 2.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.423 ' CG ' ' HD3' ' A' ' 34' ' ' ARG . 25.8 p90 -158.12 -178.74 7.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.947 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.9 mp -131.43 118.4 39.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.055 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 31.8 p -131.03 160.54 66.39 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.946 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_exo -52.0 177.89 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.491 2.127 . . . . 0.0 112.356 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.36 107.18 0.17 Allowed 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.534 2.156 . . . . 0.0 112.353 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.6 mtmt 59.74 86.48 0.09 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.005 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -158.08 29.97 0.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -144.94 140.93 9.5 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.431 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.0 tp -148.41 129.67 14.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.811 0.339 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -101.15 116.04 31.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.607 ' O ' HG22 ' A' ' 47' ' ' VAL . . . -132.17 177.21 7.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.188 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.73 148.55 27.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.46 HG21 ' SD ' ' A' ' 11' ' ' MET . 17.0 m -60.22 -28.95 42.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.234 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.1 t -64.02 -29.23 70.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.947 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 16.5 mttm -97.84 28.84 3.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.046 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.493 HD12 HG21 ' A' ' 47' ' ' VAL . 24.6 mt -148.94 146.16 17.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.102 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -134.77 175.51 9.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.51 132.39 41.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -103.88 -174.27 2.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.11 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.541 ' O ' HG12 ' A' ' 87' ' ' VAL . 21.8 t 66.04 47.19 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 61.3 172.89 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -114.47 162.87 16.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.072 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -74.22 158.51 33.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.964 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -130.97 -150.09 6.68 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.493 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -69.16 127.85 15.68 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.56 2.173 . . . . 0.0 112.314 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.9 t -61.06 162.85 6.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.75 34.82 1.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.393 -1.226 . . . . 0.0 112.552 -179.966 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.11 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m -147.92 31.39 0.86 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.84 0.352 . . . . 0.0 110.896 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.22 -179.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.967 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.525 ' O ' HD21 ' A' ' 10' ' ' LEU . . . -158.14 123.43 1.26 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.449 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -132.73 173.98 10.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.781 0.324 . . . . 0.0 110.92 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.33 -66.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.12 -78.09 1.4 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.449 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -178.07 -38.5 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.487 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.525 ' OD1' HD12 ' A' ' 12' ' ' LEU . 74.8 m-80 -69.46 73.02 0.34 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.839 0.352 . . . . 0.0 110.865 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.525 HD21 ' O ' ' A' ' 4' ' ' GLY . 0.2 OUTLIER -76.43 -56.41 4.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.504 ' HB3' HG11 ' A' ' 80' ' ' VAL . 6.2 mtm -80.31 -35.25 35.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.525 HD12 ' OD1' ' A' ' 9' ' ' ASN . 32.9 mt -61.07 -37.66 83.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 78.9 p -61.75 -41.15 97.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.939 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.54 -39.41 52.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.051 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 31.1 mt -68.23 -55.45 12.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 109.65 34.32 2.47 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.486 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 tp -139.67 162.62 34.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.826 0.346 . . . . 0.0 110.942 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.74 164.14 13.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.821 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.485 HD22 ' O ' ' A' ' 34' ' ' ARG . 16.3 mt -65.91 151.65 46.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.26 -37.5 3.43 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.537 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.33 151.28 28.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.871 0.367 . . . . 0.0 110.802 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.2 mtm-85 -86.91 153.37 21.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 13.3 m -137.45 174.44 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.047 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.518 HD23 ' HA2' ' A' ' 27' ' ' GLY . 12.0 tp -112.94 110.01 19.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.585 HD12 HD23 ' A' ' 51' ' ' LEU . 35.3 mt -83.07 128.85 34.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 60.0 26.47 15.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.015 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.518 ' HA2' HD23 ' A' ' 24' ' ' LEU . . . 55.95 31.28 58.39 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.556 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -153.94 -67.27 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.831 0.348 . . . . 0.0 110.96 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.01 159.48 9.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.945 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -119.72 133.38 55.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.848 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -145.45 157.57 27.39 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.559 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.3 m -107.8 128.93 55.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.893 0.378 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.55 HD11 ' HB ' ' A' ' 47' ' ' VAL . 19.4 tp -72.87 143.87 47.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.485 ' O ' HD22 ' A' ' 19' ' ' LEU . 10.3 mtp180 -136.46 -48.05 0.64 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.44 ' CD1' ' N ' ' A' ' 36' ' ' CYS . 61.8 t80 -121.88 161.04 23.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.952 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.44 ' N ' ' CD1' ' A' ' 35' ' ' PHE . 29.8 p -154.42 132.71 11.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.978 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 142.44 -158.12 26.83 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.476 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.0 p -89.23 158.46 17.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.838 0.352 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 73.2 p -113.17 174.51 5.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.822 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -83.19 -49.21 9.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.95 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 17.3 p90 -62.95 -31.59 72.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -136.98 139.15 41.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.073 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 37.2 m -104.48 105.24 15.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 170.63 -146.78 10.0 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.523 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.04 114.43 25.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.866 0.365 . . . . 0.0 110.856 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 87.0 m95 -144.01 142.5 30.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.55 ' HB ' HD11 ' A' ' 33' ' ' LEU . 16.0 m -139.56 128.98 29.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.173 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -77.87 128.3 8.76 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.439 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 18.9 t -137.78 134.21 45.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.884 0.374 . . . . 0.0 111.149 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -93.21 116.67 29.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.585 HD23 HD12 ' A' ' 25' ' ' LEU . 19.1 mt -65.3 140.71 58.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.35 -44.17 65.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.75 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -68.07 159.76 78.18 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.811 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.88 61.4 2.34 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.599 2.199 . . . . 0.0 112.349 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -142.55 148.88 38.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.811 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 171.76 -168.88 42.01 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.637 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.9 mttp -149.09 -45.9 0.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.771 0.319 . . . . 0.0 110.935 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 62.2 m-20 -98.41 147.32 24.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.963 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -103.03 30.56 4.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 97.06 -29.88 9.95 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.516 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 21.5 m -109.04 126.61 53.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.806 0.336 . . . . 0.0 110.964 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.7 t -134.8 125.25 45.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.069 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 59.0 25.86 60.15 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.557 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.02 -33.08 5.81 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.545 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.5 t -70.78 127.42 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.851 0.358 . . . . 0.0 111.172 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -93.32 146.5 23.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -131.69 -46.48 0.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.415 ' CG ' ' HD3' ' A' ' 34' ' ' ARG . 11.7 p90 -161.88 -177.55 5.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.7 mp -129.57 108.38 16.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 30.5 p -128.83 160.3 63.93 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.3 168.99 0.34 Allowed 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.554 2.169 . . . . 0.0 112.242 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.18 117.66 3.82 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.584 2.19 . . . . 0.0 112.305 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.6 mtpt 60.23 105.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.835 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -177.86 -38.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.97 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -69.97 116.97 7.13 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.458 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.443 HD13 HD11 ' A' ' 51' ' ' LEU . 9.5 tt -133.07 127.05 33.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.817 0.341 . . . . 0.0 110.924 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -95.67 128.57 42.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.903 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -138.97 151.51 46.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.044 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 58.6 m -67.52 145.8 54.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.504 HG11 ' HB3' ' A' ' 11' ' ' MET . 22.2 m -57.71 -29.31 34.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.209 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.1 m -59.55 -30.39 68.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.998 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 6.8 mttp -103.0 36.79 2.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.948 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 37.0 mt -147.36 137.71 17.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.108 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.71 135.4 52.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.85 128.34 36.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.56 -178.27 0.67 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.162 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 14.0 p -58.66 137.2 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.211 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -89.04 117.35 27.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -100.16 -69.44 0.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.015 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.04 133.94 45.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 142.8 -87.92 0.18 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.489 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.12 169.58 0.28 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.628 2.219 . . . . 0.0 112.317 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 67.9 p -171.2 -44.53 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.963 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 24.7 m -78.81 159.56 27.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.383 -1.231 . . . . 0.0 112.491 179.964 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.236 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t -98.87 31.61 2.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.832 0.348 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -137.91 31.39 2.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.27 -118.48 0.83 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.533 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.2 t -140.83 88.21 2.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.829 0.347 . . . . 0.0 110.853 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m 61.24 155.19 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.959 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.45 -68.19 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.484 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -72.37 -53.94 8.29 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.505 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -96.01 81.59 3.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 110.94 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -86.32 -63.77 1.26 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.93 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 5.6 mmt -82.86 -30.17 28.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.958 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.848 HD21 HD21 ' A' ' 33' ' ' LEU . 49.5 mt -58.8 -45.32 90.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.942 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.5 t -63.65 -47.16 82.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.68 -33.4 72.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.17 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.472 HD11 HG11 ' A' ' 80' ' ' VAL . 22.3 mt -77.01 -42.06 40.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.95 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.04 43.34 2.24 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.471 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.637 HD23 HD22 ' A' ' 33' ' ' LEU . 8.0 tp -137.45 156.49 48.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.897 0.379 . . . . 0.0 110.925 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -119.96 156.9 29.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.756 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.575 HD22 ' O ' ' A' ' 34' ' ' ARG . 44.9 mt -77.91 130.19 36.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 115.54 -32.0 5.91 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.527 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -72.1 153.75 41.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.84 0.353 . . . . 0.0 110.931 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.58 173.42 2.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.5 m -153.98 142.5 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.164 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.414 HD21 ' HA2' ' A' ' 27' ' ' GLY . 35.1 tp -91.55 114.93 27.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.839 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.551 HD23 HG23 ' A' ' 83' ' ' ILE . 14.8 mt -104.6 117.4 34.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.984 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 58.49 26.45 14.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.15 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.414 ' HA2' HD21 ' A' ' 24' ' ' LEU . . . 55.45 24.33 38.02 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.63 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -146.26 -59.55 0.31 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.838 0.352 . . . . 0.0 110.848 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.73 123.69 23.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -103.06 118.75 37.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -129.07 -169.62 12.61 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.529 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -130.86 126.09 35.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.801 0.334 . . . . 0.0 110.91 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.848 HD21 HD21 ' A' ' 12' ' ' LEU . 28.3 tp -62.36 138.87 58.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.575 ' O ' HD22 ' A' ' 19' ' ' LEU . 1.6 mmp_? -132.46 -46.6 0.9 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -129.97 159.4 36.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.714 ' HA ' HG12 ' A' ' 47' ' ' VAL . 52.4 t -156.62 145.97 20.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 125.36 -135.53 9.34 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.496 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -100.18 173.2 6.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.843 0.354 . . . . 0.0 110.861 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -132.3 -178.17 4.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -109.0 -33.86 6.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 14.7 p90 -85.43 -29.64 24.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.022 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -123.05 119.79 31.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.062 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.76 108.3 10.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 150.59 -161.46 28.99 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.543 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -96.29 127.21 42.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.875 0.369 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 68.5 m95 -145.57 161.89 38.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.968 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.714 HG12 ' HA ' ' A' ' 36' ' ' CYS . 3.8 m -141.62 130.09 22.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.095 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -77.77 121.49 5.79 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.41 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.5 t -128.94 146.25 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.852 0.358 . . . . 0.0 111.11 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -103.45 132.4 49.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.869 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.518 HD12 ' O ' ' A' ' 55' ' ' GLU . 82.9 mt -79.71 114.71 18.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.948 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -60.29 -36.64 78.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -75.41 160.37 79.87 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.47 63.53 1.63 Allowed 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.557 2.171 . . . . 0.0 112.287 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.518 ' O ' HD12 ' A' ' 51' ' ' LEU . 45.1 mt-10 -150.87 135.17 16.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.889 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 178.55 166.27 34.47 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.516 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.6 mttm -124.08 -55.25 1.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.849 0.357 . . . . 0.0 110.912 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -86.94 148.56 25.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.944 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -100.47 29.41 4.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 95.05 -38.31 3.16 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.547 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.6 p -95.57 133.01 40.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.784 0.326 . . . . 0.0 110.934 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.7 t -149.46 132.66 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.105 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 59.75 23.56 58.91 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.602 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 95.83 -31.17 7.49 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.604 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.8 t -78.84 151.74 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.807 0.337 . . . . 0.0 111.101 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -124.72 134.3 52.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -112.28 -37.87 4.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -163.83 178.63 7.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.912 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 19.4 mt -126.97 114.61 38.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 30.6 p -127.1 160.31 60.29 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.04 178.18 0.04 OUTLIER 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.695 2.263 . . . . 0.0 112.295 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.29 103.26 0.08 OUTLIER 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.652 2.235 . . . . 0.0 112.323 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.96 81.2 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -152.66 29.2 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.956 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -133.95 143.37 15.03 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.1 tp -153.51 139.64 18.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.824 0.345 . . . . 0.0 110.966 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -106.38 135.03 48.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.839 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.524 ' HB3' HD11 ' A' ' 83' ' ' ILE . . . -140.92 176.46 8.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.93 155.03 19.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.472 HG11 HD11 ' A' ' 15' ' ' LEU . 7.1 m -58.46 -31.44 43.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.257 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.2 -29.21 69.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -97.32 25.9 5.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.055 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.585 HD12 ' CG2' ' A' ' 47' ' ' VAL . 30.7 mt -149.79 155.67 7.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.117 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.442 ' N ' HG22 ' A' ' 83' ' ' ILE . 0.1 OUTLIER -150.25 174.48 12.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.77 118.02 14.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.86 102.65 2.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.5 t -106.09 109.56 28.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.083 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -134.28 175.37 9.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -80.53 153.21 28.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.036 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.8 p -159.09 114.88 2.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 101.5 74.85 1.09 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.504 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.26 -33.18 64.1 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.554 2.17 . . . . 0.0 112.331 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.62 67.55 1.02 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 57.5 m 59.19 31.1 20.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.085 0 CA-C-O 118.359 -1.245 . . . . 0.0 112.54 -179.967 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.195 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.7 p -104.66 160.34 15.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.767 0.318 . . . . 0.0 110.934 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.8 m -95.7 92.71 6.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.09 59.46 4.94 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.549 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.6 t -165.4 -44.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.738 0.304 . . . . 0.0 110.939 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.5 p -143.56 -173.38 3.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.51 153.72 20.33 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.508 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -78.61 171.8 55.16 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.505 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.8 m120 60.72 31.17 20.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.818 0.342 . . . . 0.0 110.937 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.1 tp -82.74 -32.0 28.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.918 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -94.04 -39.07 10.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.0 mt -59.77 -46.88 87.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.944 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 53.7 p -65.48 -31.82 73.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.04 -52.94 29.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.064 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 56.2 mt -74.88 -43.47 54.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 97.93 33.63 5.72 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.551 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.5 tp -109.78 144.19 38.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.797 0.332 . . . . 0.0 110.863 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.04 163.11 12.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.906 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 35.7 mt -85.93 111.19 20.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 132.24 -28.28 3.49 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.558 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -69.95 163.75 25.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.789 0.328 . . . . 0.0 110.93 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.4 161.93 17.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.3 m -145.5 169.0 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.878 ' HB2' ' HB2' ' A' ' 86' ' ' ALA . 8.4 tp -108.85 123.5 49.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.969 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.594 HD12 HD23 ' A' ' 51' ' ' LEU . 42.2 mt -98.86 126.19 44.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.829 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 62.19 26.86 16.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 56.95 27.3 56.66 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.639 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -151.17 -70.2 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.784 0.326 . . . . 0.0 110.851 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.92 153.82 20.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -114.72 145.56 41.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -155.85 159.52 29.35 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.461 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 m -100.58 134.43 43.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.759 0.314 . . . . 0.0 110.941 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.8 tp -72.15 141.71 49.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -130.04 -46.0 1.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -138.07 150.58 47.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.68 ' HA ' HG12 ' A' ' 47' ' ' VAL . 52.5 t -147.11 140.87 25.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 134.2 -131.44 5.96 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.561 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.3 p -110.9 136.13 50.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.824 0.345 . . . . 0.0 110.911 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.421 HG21 ' CE1' ' A' ' 41' ' ' PHE . 2.0 p -96.67 -179.89 4.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.821 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -100.12 -44.53 5.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.421 ' CE1' HG21 ' A' ' 39' ' ' THR . 52.0 p90 -62.0 -31.44 71.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -135.51 152.22 51.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.142 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.64 122.56 46.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.946 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 138.91 -161.46 25.88 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.526 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -77.63 116.73 18.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.839 0.352 . . . . 0.0 110.947 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 92.3 m95 -142.76 146.49 34.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.68 HG12 ' HA ' ' A' ' 36' ' ' CYS . 4.8 m -143.51 136.99 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -87.8 115.67 4.4 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.489 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 25.8 t -120.69 146.29 25.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.833 0.349 . . . . 0.0 111.093 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -104.58 109.87 21.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.594 HD23 HD12 ' A' ' 25' ' ' LEU . 38.1 mt -60.01 133.32 55.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -59.48 -53.26 60.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.88 153.6 93.82 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.4 63.54 1.59 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.506 2.137 . . . . 0.0 112.264 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -147.34 149.61 33.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 167.39 -143.23 8.09 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.588 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.439 ' HE3' HD12 ' A' ' 76' ' ' LEU . 0.3 OUTLIER -160.67 -46.31 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.717 0.294 . . . . 0.0 110.903 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -92.56 136.76 32.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.4 p-10 -99.5 31.34 3.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 80.12 28.4 49.59 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.493 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -155.98 125.31 6.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.824 0.345 . . . . 0.0 110.922 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.4 t -135.3 114.09 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.153 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 59.65 31.15 70.37 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.515 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.58 -29.04 10.98 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.468 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.5 t -74.37 113.54 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.833 0.349 . . . . 0.0 111.166 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.6 ttm-85 -88.66 127.7 35.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -102.48 -31.4 10.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.914 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -174.43 178.92 1.89 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 28.9 mt -115.33 102.35 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.171 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 28.9 p -124.15 154.82 68.47 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_endo -61.75 176.47 1.3 Allowed 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.526 2.151 . . . . 0.0 112.2 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -50.75 112.27 0.73 Allowed 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.536 2.157 . . . . 0.0 112.434 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt 60.55 110.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.07 -40.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.34 131.4 35.41 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.557 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.531 HD22 HD11 ' A' ' 51' ' ' LEU . 17.1 tp -135.99 131.26 34.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.887 0.375 . . . . 0.0 110.849 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -110.75 124.27 51.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.478 ' HB3' HD11 ' A' ' 83' ' ' ILE . . . -146.49 172.24 13.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.161 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.4 m -81.3 143.64 32.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.8 m -59.02 -29.2 40.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.176 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.5 m -58.66 -30.42 67.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.9 mttm -103.79 31.04 4.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.855 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.478 HD11 ' HB3' ' A' ' 78' ' ' ALA . 31.2 mt -148.01 140.03 18.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.111 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 63.8 p -118.57 179.08 4.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.1 ptmt -100.6 77.27 1.89 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.878 ' HB2' ' HB2' ' A' ' 24' ' ' LEU . . . -63.0 144.78 56.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.195 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.9 t -128.17 84.69 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.107 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 61.95 94.02 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.97 -58.52 7.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.063 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 37.0 p -77.64 99.84 5.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 162.96 101.55 0.16 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.463 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -67.51 178.24 3.36 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.47 2.114 . . . . 0.0 112.306 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 30.1 t -80.81 156.44 26.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 t -146.18 163.99 33.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.354 -1.248 . . . . 0.0 112.506 -179.972 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.194 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.4 m -98.08 36.51 1.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.815 0.341 . . . . 0.0 110.943 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -60.78 -32.13 71.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.24 -135.01 0.33 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.536 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -117.02 167.87 10.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.814 0.34 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.9 t -141.36 31.89 1.71 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.942 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.732 ' HA3' HD11 ' A' ' 19' ' ' LEU . . . 81.62 -69.26 3.33 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.557 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 100.74 -163.14 18.53 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.463 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 16.8 m-20 -163.21 31.32 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.81 0.338 . . . . 0.0 110.945 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.3 tp -84.44 -58.08 2.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.01 -29.6 19.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.7 mt -58.91 -53.31 59.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 81.4 p -60.56 -33.66 73.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.26 -53.49 24.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.065 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 18.4 mt -64.57 -51.26 63.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.941 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.09 43.72 0.77 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.502 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.45 HD23 HD22 ' A' ' 33' ' ' LEU . 11.7 tp -139.97 162.98 33.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.803 0.335 . . . . 0.0 110.873 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.7 mtt180 -125.14 160.57 28.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.002 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.732 HD11 ' HA3' ' A' ' 7' ' ' GLY . 93.8 mt -65.11 135.59 55.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.78 19.7 36.39 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.696 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -108.62 158.59 17.45 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.876 0.37 . . . . 0.0 110.781 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.07 148.43 26.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 31.2 m -137.85 159.35 33.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.114 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.8 tp -101.68 117.97 35.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.427 HD21 HG11 ' A' ' 49' ' ' VAL . 88.9 mt -96.66 111.79 23.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.91 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.7 t70 59.51 28.8 18.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.002 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 57.42 50.86 61.46 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.572 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.3 -73.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.763 0.316 . . . . 0.0 110.868 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.42 158.89 30.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.96 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -130.67 126.43 36.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.434 ' HA3' HG12 ' A' ' 49' ' ' VAL . . . -131.1 172.14 20.78 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.541 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.1 m -107.77 114.59 28.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.787 0.327 . . . . 0.0 110.832 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.45 HD22 HD23 ' A' ' 17' ' ' LEU . 9.2 tp -62.59 107.77 1.01 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.89 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.689 ' O ' HD22 ' A' ' 19' ' ' LEU . 1.6 mmp_? -96.46 -31.78 12.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -137.64 162.72 33.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.573 ' HA ' HG12 ' A' ' 47' ' ' VAL . 9.1 t -158.59 129.35 6.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.96 -132.21 5.28 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.472 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 30.4 p -104.48 172.86 6.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.842 0.353 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.721 HG21 ' CZ ' ' A' ' 41' ' ' PHE . 1.0 OUTLIER -135.17 170.83 15.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.854 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.96 -46.12 8.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.833 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.721 ' CZ ' HG21 ' A' ' 39' ' ' THR . 22.6 p90 -60.24 -31.54 70.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.927 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.93 110.52 6.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.047 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.13 95.52 2.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 178.88 -152.68 11.49 Favored Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -89.7 109.98 20.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.789 0.328 . . . . 0.0 110.903 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 92.1 m95 -141.75 153.2 44.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.573 HG12 ' HA ' ' A' ' 36' ' ' CYS . 31.0 m -144.17 139.86 24.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.152 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -83.07 116.84 4.28 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.481 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.434 HG12 ' HA3' ' A' ' 31' ' ' GLY . 21.5 t -122.15 126.01 73.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.8 0.333 . . . . 0.0 111.13 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -92.91 113.88 26.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 mt -63.16 127.74 32.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.57 -35.16 79.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -72.66 155.01 91.3 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.31 62.89 2.73 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.549 2.166 . . . . 0.0 112.302 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -159.78 150.0 18.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 177.34 -174.34 46.9 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -140.33 35.85 1.88 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.856 0.36 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -175.91 141.13 0.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -98.73 32.85 2.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.818 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 78.82 27.51 56.53 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.497 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 42.4 t -159.99 147.04 16.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.777 0.322 . . . . 0.0 110.944 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.4 t -133.87 106.91 9.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.098 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 62.18 -101.85 0.41 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.515 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -116.7 28.49 7.39 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.478 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.6 t -136.02 139.06 46.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.849 0.357 . . . . 0.0 111.054 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.3 ttm-85 -120.32 136.19 54.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.43 ' N ' ' CD1' ' A' ' 67' ' ' TYR . 3.6 m-85 -111.71 -34.19 6.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.427 ' CD2' ' HD3' ' A' ' 34' ' ' ARG . 24.2 p90 -168.81 -179.13 3.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.952 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 1.6 pt -118.04 129.87 73.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.087 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 30.3 p -156.56 161.8 28.8 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -56.05 169.35 1.47 Allowed 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.647 2.232 . . . . 0.0 112.136 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -63.76 123.09 11.41 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.538 2.159 . . . . 0.0 112.195 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.3 mttp 62.34 89.37 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -165.86 -43.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -78.99 144.52 27.54 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.486 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.537 HD23 ' N ' ' A' ' 77' ' ' PHE . 0.9 OUTLIER -153.32 146.76 24.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.802 0.334 . . . . 0.0 110.948 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.537 ' N ' HD23 ' A' ' 76' ' ' LEU . 16.6 m-85 -109.33 146.76 33.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -155.98 176.16 13.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.095 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.7 m -88.15 143.43 27.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 15.5 m -57.67 -29.18 33.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.247 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.2 m -59.79 -30.67 69.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.972 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.4 mtpt -103.04 30.15 5.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.984 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.422 HG22 ' N ' ' A' ' 84' ' ' SER . 41.8 mt -141.77 154.4 19.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.074 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.422 ' N ' HG22 ' A' ' 83' ' ' ILE . 0.3 OUTLIER -129.96 180.0 5.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.936 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 11.1 tttm -97.28 38.91 1.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.837 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . 59.6 167.56 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 6.3 m -101.48 169.75 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.209 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -154.66 132.39 11.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.829 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -166.31 -43.54 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.159 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.53 33.93 3.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 63.84 171.51 2.11 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.5 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.24 -177.8 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.556 2.171 . . . . 0.0 112.303 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.8 m -97.51 -69.25 0.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.17 92.37 0.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.418 -1.212 . . . . 0.0 112.58 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.18 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.6 m -136.18 33.06 2.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.798 0.332 . . . . 0.0 110.961 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.93 -60.67 1.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.87 -124.03 2.28 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.523 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 m -76.53 136.64 39.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.792 0.329 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -147.03 160.68 42.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.951 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.65 -162.41 21.87 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.547 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 91.49 -162.45 28.06 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.449 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -70.02 148.3 49.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.854 0.359 . . . . 0.0 110.883 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.12 -33.94 11.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.0 mmt -60.12 -43.09 95.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.921 HD21 HD21 ' A' ' 33' ' ' LEU . 25.9 mt -62.72 -53.52 53.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.4 m -60.79 -32.48 71.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.99 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.35 -36.23 83.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.158 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.5 mt -84.05 -53.4 5.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.945 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 125.42 41.55 0.35 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.506 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.0 tp -146.2 158.32 43.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.783 0.325 . . . . 0.0 110.866 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -118.59 168.63 10.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.664 HD22 ' O ' ' A' ' 34' ' ' ARG . 55.7 mt -73.53 152.25 40.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.985 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.35 -42.38 2.08 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.433 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.59 175.37 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.826 0.346 . . . . 0.0 110.87 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -107.18 161.45 14.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.8 m -132.9 162.68 39.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.115 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.3 tp -107.4 120.5 42.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.929 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.535 HD11 HG11 ' A' ' 49' ' ' VAL . 64.3 mt -96.07 118.38 32.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.9 t0 61.09 28.32 18.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 57.31 39.04 89.67 Favored Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.529 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -155.99 -72.69 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.831 0.348 . . . . 0.0 110.985 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.19 150.64 29.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -121.6 129.66 52.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -132.13 166.47 23.23 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.487 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.7 m -110.65 111.09 22.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 0.0 110.928 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.921 HD21 HD21 ' A' ' 12' ' ' LEU . 59.9 tp -60.18 147.29 40.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.664 ' O ' HD22 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -145.77 -47.48 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -119.91 150.7 40.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.483 ' SG ' HG12 ' A' ' 47' ' ' VAL . 48.4 t -153.57 150.12 28.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 115.37 -157.98 14.66 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.8 -0.715 . . . . 0.0 112.518 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.1 p -80.88 173.06 12.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.872 0.368 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 17.4 p -134.25 169.21 17.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -74.9 -44.41 48.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.933 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.419 ' CD1' ' N ' ' A' ' 42' ' ' ALA . 40.4 p90 -63.37 -38.61 91.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.815 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.419 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . -144.77 144.18 31.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.106 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.85 98.05 7.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -166.18 -124.41 0.71 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.487 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -119.82 112.79 19.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.863 0.363 . . . . 0.0 110.857 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 72.5 m95 -143.59 146.92 33.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.483 HG12 ' SG ' ' A' ' 36' ' ' CYS . 29.5 m -145.6 135.2 17.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.183 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -75.36 123.22 7.12 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.546 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.535 HG11 HD11 ' A' ' 25' ' ' LEU . 26.2 t -122.89 127.12 74.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.853 0.359 . . . . 0.0 111.091 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -104.86 105.32 15.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 57.0 mt -59.98 127.55 32.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -65.34 -39.5 92.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.91 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.47 160.42 79.61 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.855 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.97 62.71 2.47 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.605 2.204 . . . . 0.0 112.244 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -143.23 154.21 43.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 160.14 -134.69 3.75 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.472 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -176.42 -40.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.79 0.329 . . . . 0.0 110.921 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -110.08 157.67 19.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.65 27.75 4.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.028 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 95.84 -27.88 14.61 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.51 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.1 t -107.15 142.58 36.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.854 0.359 . . . . 0.0 110.932 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.6 t -137.05 123.58 28.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 65.28 -119.74 15.47 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.455 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -110.02 28.3 10.67 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.541 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.6 t -147.13 139.88 19.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.79 0.328 . . . . 0.0 111.08 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -120.21 143.7 48.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.948 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -107.33 -31.12 8.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 30.6 p90 -173.23 -178.16 1.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 10.3 pt -115.44 140.2 38.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.18 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 31.5 p -155.92 153.03 25.02 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.974 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -52.6 176.28 0.07 OUTLIER 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.659 2.239 . . . . 0.0 112.314 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.24 110.06 0.41 Allowed 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.634 2.222 . . . . 0.0 112.233 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.3 mttt 60.86 111.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -177.1 -39.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.957 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -59.43 124.63 37.04 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.498 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.9 tp -138.26 114.85 10.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.786 0.327 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -99.13 140.37 33.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.913 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.542 ' HB3' HD11 ' A' ' 83' ' ' ILE . . . -157.57 -179.98 8.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.17 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.73 147.49 25.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 31.1 m -57.69 -34.09 46.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.226 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 59.8 m -64.35 -28.14 69.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.082 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -97.76 28.97 3.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.084 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.542 HD11 ' HB3' ' A' ' 78' ' ' ALA . 30.6 mt -150.59 153.22 10.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.884 0.373 . . . . 0.0 111.152 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 17.1 m -113.32 171.3 7.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.83 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.7 pttt -99.99 47.61 0.94 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.969 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . 58.71 90.9 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.123 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.6 m -116.07 140.87 36.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.159 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -85.27 165.12 17.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.954 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -108.9 76.87 1.03 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.106 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m -100.41 130.04 46.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -115.26 83.68 0.34 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.469 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.35 -59.7 0.99 Allowed 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.585 2.19 . . . . 0.0 112.274 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 39.5 p -96.48 -56.04 2.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 64.0 m -110.3 179.2 4.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.094 0 CA-C-O 118.366 -1.241 . . . . 0.0 112.525 -179.969 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.312 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 60.36 167.02 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.811 0.339 . . . . 0.0 110.916 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.65 129.82 1.91 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.96 -83.97 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.463 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.3 m 60.39 174.51 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.753 0.311 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 p -131.83 31.31 4.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.84 -139.15 7.56 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.461 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 94.65 -110.53 4.02 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.539 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -78.85 168.11 20.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.761 0.315 . . . . 0.0 110.897 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.02 -39.05 8.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.976 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.469 ' HE2' ' HA2' ' A' ' 37' ' ' GLY . 3.1 mpp? -97.48 -55.45 2.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.95 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.573 HD21 HD21 ' A' ' 33' ' ' LEU . 21.5 mt -59.19 -29.8 67.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.957 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.13 -31.39 34.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.956 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.63 -32.16 70.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.183 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.5 mt -94.35 -58.95 2.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 123.89 40.38 0.45 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.54 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.424 HD21 ' CG1' ' A' ' 23' ' ' VAL . 26.2 tp -128.64 161.96 28.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.838 0.352 . . . . 0.0 110.961 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.1 ttt85 -127.45 161.05 29.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.565 HD22 ' O ' ' A' ' 34' ' ' ARG . 4.8 mt -76.84 151.01 36.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.841 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.63 -29.8 9.84 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.432 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.06 168.95 18.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.792 0.33 . . . . 0.0 110.886 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -93.42 149.81 20.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.51 ' C ' ' HB2' ' A' ' 86' ' ' ALA . 10.5 m -130.74 168.84 22.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.055 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 24' ' ' LEU . 5.8 tp -115.08 104.97 12.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.83 HD21 HG11 ' A' ' 49' ' ' VAL . 32.1 mt -81.86 125.62 30.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.945 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 60.08 26.54 15.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.033 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 55.47 43.43 85.32 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.716 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -166.65 -67.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.796 0.331 . . . . 0.0 110.927 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.94 134.82 57.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.15 123.43 43.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -133.45 177.28 19.12 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.536 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 60.1 m -125.29 125.03 42.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.815 0.34 . . . . 0.0 110.913 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.573 HD21 HD21 ' A' ' 12' ' ' LEU . 35.8 tp -67.22 140.11 57.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.565 ' O ' HD22 ' A' ' 19' ' ' LEU . 3.0 mtp85 -131.56 -52.88 1.01 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.965 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.432 ' CD2' ' N ' ' A' ' 36' ' ' CYS . 54.8 t80 -109.39 163.32 13.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.491 ' SG ' HD21 ' A' ' 19' ' ' LEU . 23.2 p -155.36 116.49 3.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.469 ' HA2' ' HE2' ' A' ' 11' ' ' MET . . . 140.19 -148.85 20.43 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.475 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 47.5 p -85.24 -178.27 6.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.804 0.335 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.4 p -129.66 177.4 7.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -93.55 -43.42 8.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.941 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -70.05 -31.59 69.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -135.24 -179.61 5.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -133.63 138.8 46.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 139.45 -156.5 24.66 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.472 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -92.7 106.34 18.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.808 0.337 . . . . 0.0 110.889 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 77.3 m95 -132.4 154.79 49.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.408 ' HB ' HD11 ' A' ' 33' ' ' LEU . 10.7 m -144.17 137.01 23.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -80.44 123.5 6.09 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.411 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.83 HG11 HD21 ' A' ' 25' ' ' LEU . 21.6 t -129.07 133.29 66.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.867 0.365 . . . . 0.0 111.094 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -105.48 115.44 30.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.652 HD12 ' O ' ' A' ' 74' ' ' GLN . 1.2 mp -73.21 138.47 45.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.947 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -65.09 -48.88 72.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -65.5 151.65 93.96 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -72.02 62.24 3.24 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.544 2.162 . . . . 0.0 112.268 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.442 ' O ' HD13 ' A' ' 51' ' ' LEU . 53.3 mt-10 -155.71 100.53 2.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -129.78 -113.51 1.64 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.499 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -176.63 -47.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.791 0.329 . . . . 0.0 110.867 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.433 ' OD1' HG22 ' A' ' 62' ' ' VAL . 24.7 m-80 -111.56 158.78 18.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -98.42 30.53 3.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.426 ' HA2' ' CE1' ' A' ' 68' ' ' PHE . . . 96.26 -27.77 15.66 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.526 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -109.14 142.88 39.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.866 0.365 . . . . 0.0 110.84 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.433 HG22 ' OD1' ' A' ' 58' ' ' ASN . 21.4 t -142.07 117.25 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.16 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 64.02 27.09 70.85 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.569 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 99.4 -28.02 17.39 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.549 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.5 t -79.85 118.87 28.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.81 0.338 . . . . 0.0 111.102 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 35.9 ttp180 -94.29 117.47 30.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -92.72 -30.91 15.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.907 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.44 ' CG ' ' HD3' ' A' ' 34' ' ' ARG . 15.5 p90 -174.18 179.87 1.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.965 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.9 mp -121.78 124.19 70.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.081 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.4 ' HB2' ' HD2' ' A' ' 71' ' ' PRO . 31.5 p -152.25 160.98 30.59 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.944 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.4 ' HD2' ' HB2' ' A' ' 70' ' ' CYS . 76.2 Cg_exo -49.81 167.45 0.2 Allowed 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.541 2.161 . . . . 0.0 112.255 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -58.22 122.55 11.87 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.606 2.204 . . . . 0.0 112.235 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.58 91.97 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.84 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.652 ' O ' HD12 ' A' ' 51' ' ' LEU . 5.9 tt0 -162.67 -44.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.975 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -72.31 130.25 15.65 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.499 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.2 tp -135.69 120.97 19.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.804 0.335 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -99.85 117.28 33.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -138.46 170.85 15.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.079 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.8 m -80.86 150.46 29.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 23.0 m -59.8 -26.04 34.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.241 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 84.4 p -56.18 -31.47 63.45 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.008 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -107.17 30.61 6.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.812 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.551 HG23 HD23 ' A' ' 25' ' ' LEU . 30.4 mt -142.17 145.1 24.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.066 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.1 m -138.27 177.83 7.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.987 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -78.32 134.38 37.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.87 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.51 ' HB2' ' C ' ' A' ' 23' ' ' VAL . . . -79.46 174.8 11.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.5 t -101.48 118.54 48.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.104 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -110.98 121.3 45.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.971 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -121.37 -42.76 2.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.11 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.67 112.81 1.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.946 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -167.2 -95.12 0.1 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.529 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -72.83 -169.35 0.48 Allowed 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.539 2.159 . . . . 0.0 112.251 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.9 p -72.95 -41.48 64.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -162.12 -63.67 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.954 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.083 0 CA-C-O 118.314 -1.27 . . . . 0.0 112.477 -179.97 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.191 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.3 m -77.84 -56.76 4.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.819 0.343 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.8 t -172.13 113.68 0.31 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.41 147.22 7.16 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.457 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.5 m -148.83 100.06 3.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.827 0.346 . . . . 0.0 110.978 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.6 p -108.28 30.68 6.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.953 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.91 59.73 0.43 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.525 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 175.25 -34.51 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.549 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -58.54 98.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.818 0.342 . . . . 0.0 110.937 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.98 -55.51 2.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.1 tpt -89.16 -36.28 15.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.964 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.3 mt -59.11 -31.26 68.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.959 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.1 m -70.43 -51.4 29.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.41 -32.68 72.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.068 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.0 mt -74.95 -65.05 0.92 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.925 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 128.63 43.01 0.23 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.867 -0.683 . . . . 0.0 112.485 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.697 HD23 HD22 ' A' ' 33' ' ' LEU . 2.4 tp -148.62 154.34 39.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.754 0.312 . . . . 0.0 110.913 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.42 153.22 31.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.71 HD22 ' O ' ' A' ' 34' ' ' ARG . 28.4 mt -59.97 131.33 50.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.72 -24.12 33.19 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.588 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -59.92 152.35 23.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.774 0.321 . . . . 0.0 110.86 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.1 ttm-85 -72.4 145.48 47.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.443 HG22 ' O ' ' A' ' 31' ' ' GLY . 16.0 m -135.77 141.33 42.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.043 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.484 ' HB2' ' HB2' ' A' ' 86' ' ' ALA . 11.9 tp -100.68 117.5 34.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.84 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.562 HD11 HG11 ' A' ' 49' ' ' VAL . 15.6 mt -102.28 135.53 43.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 59.52 24.97 13.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.027 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 55.45 38.45 70.03 Favored Glycine 0 C--N 1.33 0.246 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.673 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -168.32 -59.2 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.791 0.329 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.01 138.95 57.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -105.32 118.99 37.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.443 ' O ' HG22 ' A' ' 23' ' ' VAL . . . -121.85 158.37 16.56 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.552 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -114.6 117.35 30.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.786 0.327 . . . . 0.0 110.965 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.697 HD22 HD23 ' A' ' 17' ' ' LEU . 46.1 tp -60.23 150.92 28.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.71 ' O ' HD22 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -142.67 -56.14 0.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.426 ' CD2' ' CD1' ' A' ' 67' ' ' TYR . 71.7 t80 -125.38 162.16 25.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.957 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.422 ' SG ' HG12 ' A' ' 47' ' ' VAL . 52.5 t -153.51 154.69 34.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.794 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 125.54 -145.45 15.71 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.486 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.6 p -103.31 154.19 19.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.839 0.352 . . . . 0.0 110.834 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 20.1 p -104.42 179.06 4.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -100.46 -46.68 5.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.912 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 26.1 p90 -62.99 -31.66 72.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.808 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -134.4 171.59 14.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.14 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 22.2 t -119.47 140.37 50.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 139.12 -151.09 21.62 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.481 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.8 mp0 -114.82 108.41 16.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.759 0.314 . . . . 0.0 110.873 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 42.5 m95 -120.38 165.08 15.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.429 HG11 ' CG1' ' A' ' 80' ' ' VAL . 29.4 m -151.79 134.89 7.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.15 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -74.97 116.06 4.9 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.481 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.562 HG11 HD11 ' A' ' 25' ' ' LEU . 21.4 t -121.83 120.45 61.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.814 0.34 . . . . 0.0 111.156 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -93.98 115.12 27.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.519 HD12 ' O ' ' A' ' 55' ' ' GLU . 46.1 mt -71.02 128.54 36.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.847 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -60.37 -43.04 96.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.37 163.47 64.18 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.944 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 78.93 0.96 Allowed 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.55 2.167 . . . . 0.0 112.258 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.519 ' O ' HD12 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -159.99 138.84 10.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.831 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 171.92 169.05 34.26 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.505 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.8 ttmm -115.42 -36.01 4.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.813 0.339 . . . . 0.0 111.013 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -106.81 167.84 9.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -117.41 28.88 8.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.946 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.432 ' HA2' ' CE2' ' A' ' 68' ' ' PHE . . . 95.99 -33.22 5.71 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.535 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.5 m -114.58 142.59 46.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.864 0.364 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.416 HG21 ' CE2' ' A' ' 77' ' ' PHE . 21.6 t -135.22 110.88 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.131 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 62.06 -116.47 9.41 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.488 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -108.88 28.41 11.33 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.5 t -133.4 133.12 57.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.874 0.368 . . . . 0.0 111.107 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.41 128.9 56.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.922 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.426 ' CD1' ' CD2' ' A' ' 35' ' ' PHE . 43.1 m-85 -114.88 -38.41 3.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.432 ' CE2' ' HA2' ' A' ' 60' ' ' GLY . 22.8 p90 -166.43 -178.09 4.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 21.4 mt -125.82 125.88 69.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 27.9 p -146.65 147.46 30.35 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.19 172.56 0.19 Allowed 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.495 2.13 . . . . 0.0 112.373 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -52.57 118.85 5.09 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.594 2.196 . . . . 0.0 112.262 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.9 mtmm 60.06 99.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -171.78 -41.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -81.79 128.24 8.36 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.608 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.9 tt -133.36 120.66 21.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.889 0.376 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.416 ' CE2' HG21 ' A' ' 62' ' ' VAL . 90.2 m-85 -82.74 109.95 17.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.956 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.486 ' HB3' HD11 ' A' ' 83' ' ' ILE . . . -122.8 177.59 5.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.099 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 34.9 m -99.87 137.95 37.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.429 ' CG1' HG11 ' A' ' 47' ' ' VAL . 12.9 m -54.94 -29.95 22.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.276 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.7 m -65.45 -28.52 69.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.037 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -103.32 28.48 6.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.2 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.502 HG23 HD23 ' A' ' 25' ' ' LEU . 48.9 mt -139.35 153.83 24.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.045 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.417 ' N ' HG22 ' A' ' 83' ' ' ILE . 72.2 p -131.36 179.96 5.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.896 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -90.61 130.91 36.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.484 ' HB2' ' HB2' ' A' ' 24' ' ' LEU . . . -108.7 41.87 1.51 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.135 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.575 ' O ' HG12 ' A' ' 87' ' ' VAL . 17.4 t -100.63 36.67 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.064 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -169.13 -53.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . 60.52 32.14 20.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.027 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 48.1 t -124.96 -69.08 0.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -150.87 -156.44 7.36 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.465 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.86 106.76 1.74 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.494 2.129 . . . . 0.0 112.34 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 m -149.6 136.52 19.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 13.3 p -169.14 139.82 2.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.392 -1.227 . . . . 0.0 112.469 179.975 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.196 0 N-CA-C 112.542 -0.223 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 t -72.65 165.48 24.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.834 0.349 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.5 m -120.8 142.07 49.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.28 134.07 2.01 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.519 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 m 60.51 90.79 0.06 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.779 0.323 . . . . 0.0 110.837 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.47 160.51 32.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.25 -155.06 1.31 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.478 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 95.55 31.92 7.22 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.52 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 -61.98 110.9 1.71 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.829 0.347 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.574 HD12 ' N ' ' A' ' 11' ' ' MET . 4.2 pp -99.97 -41.03 7.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.574 ' N ' HD12 ' A' ' 10' ' ' LEU . 0.6 OUTLIER -100.04 -37.47 8.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.815 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.627 HD21 ' CD2' ' A' ' 19' ' ' LEU . 6.0 mt -65.65 -31.18 72.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.9 t -84.97 -32.3 23.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.85 -32.99 71.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.186 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.791 ' CD1' HG11 ' A' ' 80' ' ' VAL . 60.1 mt -86.01 -49.47 7.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.1 38.44 1.14 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.5 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.736 HD23 HD22 ' A' ' 33' ' ' LEU . 7.9 tp -149.39 152.41 35.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.754 0.311 . . . . 0.0 110.896 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.56 ' O ' HD23 ' A' ' 33' ' ' LEU . 5.7 mtt180 -112.43 166.03 11.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.627 ' CD2' HD21 ' A' ' 12' ' ' LEU . 14.2 mt -76.65 143.39 40.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.018 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.73 -28.2 14.56 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.474 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.25 180.0 0.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.843 0.354 . . . . 0.0 110.843 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -98.81 145.33 27.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.411 ' C ' ' HB2' ' A' ' 86' ' ' ALA . 5.7 m -140.58 148.23 22.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.111 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.534 HD23 ' HA2' ' A' ' 27' ' ' GLY . 12.3 tp -104.33 118.41 36.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.657 HD23 HG23 ' A' ' 83' ' ' ILE . 76.4 mt -89.9 123.03 33.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.05 23.15 11.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.534 ' HA2' HD23 ' A' ' 24' ' ' LEU . . . 54.32 52.51 43.92 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.675 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -167.54 -50.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.833 0.349 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.79 133.17 34.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.912 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -95.32 116.91 29.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.867 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -121.25 160.42 15.59 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.52 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -108.19 119.44 39.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.794 0.331 . . . . 0.0 110.885 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.736 HD22 HD23 ' A' ' 17' ' ' LEU . 15.8 tp -60.29 138.63 57.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -128.69 -51.08 1.25 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.822 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -125.22 156.97 37.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.547 ' SG ' HG12 ' A' ' 47' ' ' VAL . 31.0 t -158.8 143.04 15.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.971 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 126.87 -140.56 12.01 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.468 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -96.11 163.54 13.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.843 0.354 . . . . 0.0 110.849 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 30.3 p -113.33 160.81 17.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -87.09 -43.63 12.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 31.0 p90 -66.1 -35.04 79.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -135.56 -176.65 4.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.123 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.5 t -123.96 161.74 24.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 122.8 -139.36 12.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.456 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.7 109.03 8.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.787 0.327 . . . . 0.0 110.89 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 70.0 m95 -124.48 165.52 17.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.547 HG12 ' SG ' ' A' ' 36' ' ' CYS . 13.4 m -151.11 130.02 3.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -79.66 127.3 7.9 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.48 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.519 HG21 HD21 ' A' ' 25' ' ' LEU . 22.1 t -126.65 139.42 51.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.841 0.353 . . . . 0.0 111.065 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -107.78 100.25 9.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.855 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.423 HD21 HD12 ' A' ' 25' ' ' LEU . 15.0 mt -60.04 136.54 58.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -67.38 -51.87 46.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -65.15 164.0 26.46 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.66 62.94 2.3 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.579 2.186 . . . . 0.0 112.219 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -143.79 140.82 30.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.951 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 179.29 -156.71 19.11 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.535 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.9 mmmt -150.23 -50.04 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.813 0.34 . . . . 0.0 110.964 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -114.78 159.82 20.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.971 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -104.34 33.71 3.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.919 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 74.0 23.88 75.18 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.492 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.97 111.35 6.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.768 0.318 . . . . 0.0 110.79 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 20.5 t -128.08 129.41 69.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.193 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 59.21 -108.82 1.78 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.53 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -125.64 28.52 4.95 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.456 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.5 t -137.38 130.78 43.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.872 0.368 . . . . 0.0 111.128 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -105.77 122.09 45.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -92.35 -31.58 15.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.983 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 29.1 p90 -176.47 174.28 1.94 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.572 ' N ' HD12 ' A' ' 69' ' ' ILE . 3.4 mp -118.65 119.98 62.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 24.2 p -140.45 156.65 69.44 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.841 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.17 167.28 0.53 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.559 2.173 . . . . 0.0 112.292 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -53.11 118.46 4.84 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.643 2.229 . . . . 0.0 112.332 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.27 104.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.992 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -176.83 -39.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.2 118.04 4.61 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.463 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 43.6 tp -123.35 128.16 49.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.827 0.346 . . . . 0.0 110.884 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -97.36 117.55 31.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.404 ' O ' HG22 ' A' ' 47' ' ' VAL . . . -135.05 167.73 20.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.115 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 m -75.76 147.48 39.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.791 HG11 ' CD1' ' A' ' 15' ' ' LEU . 11.4 m -59.55 -30.71 45.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.213 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 19.3 m -60.46 -29.83 69.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.954 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -98.37 31.06 2.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.657 HG23 HD23 ' A' ' 25' ' ' LEU . 28.6 mt -148.18 153.44 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.045 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 89.0 p -132.81 150.06 52.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.938 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.478 ' HG2' HD13 ' A' ' 17' ' ' LEU . 4.8 mtmt -60.38 131.12 49.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.519 ' HB2' ' N ' ' A' ' 24' ' ' LEU . . . -99.52 54.69 0.96 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.031 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.564 ' O ' HG12 ' A' ' 87' ' ' VAL . 13.6 t -119.07 30.73 2.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.092 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 59.13 177.02 0.07 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -145.46 81.45 1.62 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.074 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 16.2 m -81.0 -34.21 33.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.957 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 151.5 94.63 0.11 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.556 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -68.51 65.41 1.16 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.546 2.164 . . . . 0.0 112.218 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 71.3 m -128.22 89.41 2.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 58.8 m -102.17 121.34 42.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.841 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.421 -1.211 . . . . 0.0 112.55 -179.96 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.232 0 N-CA-C 112.564 -0.214 . . . . 0.0 112.564 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.5 p -123.8 -43.99 2.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.751 0.31 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.0 m -119.28 31.92 6.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.936 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.73 -105.92 0.3 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.475 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -102.15 148.23 25.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.834 0.35 . . . . 0.0 110.867 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.41 177.68 8.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.75 156.97 24.41 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.485 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 81.35 70.04 1.36 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.458 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.9 m120 -110.35 107.71 17.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.83 0.348 . . . . 0.0 110.95 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.4 tp -59.93 -31.27 69.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.94 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 61.9 mtp -59.2 -60.57 3.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.931 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.607 HD22 ' HB3' ' A' ' 17' ' ' LEU . 56.3 mt -68.9 -29.81 68.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.6 t -58.33 -48.84 79.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.934 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.6 -44.06 68.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.129 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.9 mt -64.63 -31.21 72.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.74 29.54 10.62 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.488 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.607 ' HB3' HD22 ' A' ' 12' ' ' LEU . 17.1 tp -113.5 163.78 14.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.796 0.332 . . . . 0.0 110.914 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.1 mtt85 -121.57 167.9 12.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.1 mt -93.07 142.19 27.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.6 -28.42 13.46 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.492 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.67 179.98 0.96 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.814 0.34 . . . . 0.0 110.933 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.64 157.38 15.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.84 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 17.1 m -138.25 163.83 28.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.8 tp -114.66 117.51 31.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.008 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.502 HD12 ' CD2' ' A' ' 51' ' ' LEU . 54.7 mt -95.89 130.43 42.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.9 t70 60.73 25.73 15.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.019 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 55.45 45.97 82.15 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.681 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -170.72 -64.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.798 0.332 . . . . 0.0 110.947 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.02 150.01 30.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.946 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 77.5 p -116.5 133.96 55.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -139.39 171.42 23.72 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.49 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.2 m -117.29 120.55 38.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.805 0.336 . . . . 0.0 110.947 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.655 HD11 ' HB ' ' A' ' 47' ' ' VAL . 19.3 tp -75.47 140.14 42.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.906 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 9.4 mtp180 -133.55 -46.67 0.81 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.441 ' CD1' ' N ' ' A' ' 36' ' ' CYS . 59.9 t80 -115.85 160.24 20.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.441 ' N ' ' CD1' ' A' ' 35' ' ' PHE . 53.0 t -160.01 154.51 23.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.895 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.32 -153.41 17.63 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.494 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.3 p -90.71 151.58 21.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.812 0.339 . . . . 0.0 110.929 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.4 p -99.16 -178.53 3.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.818 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -92.15 -56.85 2.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -60.05 -30.31 69.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.968 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -133.39 174.16 10.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.067 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -134.1 150.33 51.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 130.41 -143.61 14.93 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.473 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.418 ' HB3' HG22 ' A' ' 80' ' ' VAL . 4.9 mp0 -102.11 111.33 23.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.87 0.367 . . . . 0.0 110.857 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 96.6 m95 -135.74 149.66 49.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.655 ' HB ' HD11 ' A' ' 33' ' ' LEU . 12.3 m -147.51 126.89 4.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.461 ' O ' HD12 ' A' ' 33' ' ' LEU . . . -82.99 123.13 5.97 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.6 t -127.62 138.18 55.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.823 0.344 . . . . 0.0 111.012 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -97.84 118.72 35.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.937 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.502 ' CD2' HD12 ' A' ' 25' ' ' LEU . 89.1 mt -71.64 127.37 32.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.89 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -67.45 -34.2 76.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.09 156.54 85.91 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.35 63.01 2.13 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.596 2.197 . . . . 0.0 112.27 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -154.58 140.48 18.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -174.59 -129.7 1.21 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.539 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.56 -40.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.889 0.376 . . . . 0.0 110.95 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 26.5 m-20 -115.51 -178.36 3.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -120.24 29.9 7.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.43 ' HA2' ' CE2' ' A' ' 68' ' ' PHE . . . 94.21 -41.7 2.57 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.528 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 37.8 p -102.58 139.62 37.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.763 0.316 . . . . 0.0 110.927 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.5 t -127.17 115.91 42.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.041 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 59.64 -121.07 25.46 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.409 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -97.24 24.17 32.54 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.664 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 30.2 t -129.24 135.56 61.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.876 0.37 . . . . 0.0 110.984 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.2 ttt180 -117.89 124.61 48.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.933 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.423 ' N ' ' CD1' ' A' ' 67' ' ' TYR . 4.1 m-85 -108.07 -35.53 6.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.971 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.43 ' CE2' ' HA2' ' A' ' 60' ' ' GLY . 24.8 p90 -177.13 175.12 1.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 12.5 pt -117.07 121.16 67.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.152 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.1 p -138.17 158.66 70.58 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.47 164.38 1.39 Allowed 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.514 2.142 . . . . 0.0 112.268 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.69 117.7 3.96 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.603 2.202 . . . . 0.0 112.245 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.6 mmtp 59.95 92.01 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.75 -42.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -73.41 117.59 5.9 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.493 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.04 131.4 34.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.841 0.353 . . . . 0.0 110.919 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -96.13 155.02 16.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -160.05 161.99 34.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.079 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.7 m -73.41 148.07 43.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.829 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.418 HG22 ' HB3' ' A' ' 45' ' ' GLN . 20.8 m -55.55 -30.44 26.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.326 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.8 m -57.8 -26.89 62.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.793 ' O ' HD13 ' A' ' 83' ' ' ILE . 4.5 mmtt -107.66 41.52 1.5 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.025 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.793 HD13 ' O ' ' A' ' 82' ' ' LYS . 22.0 mm -135.57 140.91 43.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.157 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -125.64 156.61 38.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.752 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 11.3 mttm -77.29 124.77 28.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -115.32 44.52 1.82 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.057 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 13.5 m -72.42 177.89 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.2 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -80.67 132.88 35.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -131.71 78.57 1.83 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.57 130.23 39.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -145.44 -96.69 0.2 Allowed Glycine 0 CA--C 1.52 0.368 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.533 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -61.27 -60.9 0.19 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.529 2.153 . . . . 0.0 112.366 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 78.7 p -130.77 158.71 39.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.965 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 10.6 m -102.49 34.91 2.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.321 -1.266 . . . . 0.0 112.465 179.913 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.277 0 N-CA-C 112.551 -0.22 . . . . 0.0 112.551 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.8 m 60.46 100.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.772 0.32 . . . . 0.0 110.93 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 p -157.54 97.87 1.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.89 -32.09 0.2 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.537 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 t -122.19 -50.95 2.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.83 0.347 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 60.45 78.96 0.26 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.68 87.67 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.512 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -92.2 -124.57 3.41 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.469 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -75.29 150.44 38.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.864 0.364 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.2 tp -99.99 -31.49 11.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 57.6 mmm -91.25 -48.45 6.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.942 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.422 HD21 HD21 ' A' ' 33' ' ' LEU . 57.8 mt -59.34 -30.85 68.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.974 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.0 p -59.75 -31.38 69.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.94 -31.65 17.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.095 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.1 mt -71.82 -43.61 65.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.38 37.91 5.77 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.46 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.6 tp -139.15 163.16 33.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.788 0.328 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -112.46 160.19 18.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.8 mt -72.65 145.68 47.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.06 -36.86 3.67 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.484 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -60.18 160.52 8.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.785 0.326 . . . . 0.0 110.961 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.5 mtt180 -79.2 160.69 26.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.781 ' CG2' HG11 ' A' ' 49' ' ' VAL . 19.3 m -135.35 178.74 4.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.138 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.3 tp -122.55 115.65 22.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.449 HD12 HD23 ' A' ' 51' ' ' LEU . 40.6 mt -98.02 129.67 44.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.5 t70 60.37 27.21 16.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.968 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 56.07 25.81 47.46 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.696 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -152.93 -59.97 0.14 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.761 0.315 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.04 157.4 12.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -121.37 144.64 48.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.827 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -151.92 -177.68 25.88 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.493 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.554 ' C ' HG13 ' A' ' 49' ' ' VAL . 5.8 m -123.71 121.27 35.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.793 0.33 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.571 HD12 HG22 ' A' ' 49' ' ' VAL . 21.1 tp -67.55 121.57 16.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.927 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.428 ' HD3' ' CG ' ' A' ' 68' ' ' PHE . 29.2 mtp85 -115.83 -39.15 3.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.868 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -133.06 153.06 51.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.474 ' SG ' HG12 ' A' ' 47' ' ' VAL . 25.3 t -159.82 137.97 10.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.935 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 130.35 -130.77 6.31 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.52 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -107.43 164.42 12.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.826 0.346 . . . . 0.0 110.837 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.47 ' OG1' ' HB3' ' A' ' 42' ' ' ALA . 7.6 p -122.7 179.85 4.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.16 -30.48 15.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -98.81 30.9 3.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.94 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.485 ' HB1' ' HE1' ' A' ' 46' ' ' TRP . . . -170.81 148.22 2.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.122 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.4 m -114.99 36.64 3.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -132.95 -153.4 7.2 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.518 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -97.81 124.27 42.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.867 0.365 . . . . 0.0 110.856 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.485 ' HE1' ' HB1' ' A' ' 42' ' ' ALA . 79.0 m95 -141.11 160.45 40.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.707 HG21 HG13 ' A' ' 83' ' ' ILE . 19.1 m -151.1 134.93 8.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.131 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.432 ' HA3' ' CE1' ' A' ' 77' ' ' PHE . . . -99.46 122.72 7.67 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.46 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.781 HG11 ' CG2' ' A' ' 23' ' ' VAL . 21.3 t -134.63 136.33 52.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.855 0.36 . . . . 0.0 111.09 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -81.23 126.22 31.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.449 HD23 HD12 ' A' ' 25' ' ' LEU . 11.4 mt -74.68 131.88 41.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.949 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -61.16 -35.74 77.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.927 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -93.55 157.49 38.36 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.61 65.43 1.71 Allowed 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.537 2.158 . . . . 0.0 112.223 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -134.25 155.06 50.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.914 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 141.45 -158.99 26.69 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.472 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.8 tptm -145.67 -47.89 0.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.786 0.327 . . . . 0.0 110.937 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 -89.92 153.65 20.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.58 30.03 3.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.798 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.32 -31.75 7.12 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.565 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 75.0 p -110.64 146.37 36.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.856 0.36 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.6 t -126.51 106.27 15.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.058 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 62.99 -97.96 0.21 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.477 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -119.27 28.38 6.59 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.5 t -132.82 117.89 31.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.803 0.335 . . . . 0.0 111.133 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.1 ttt180 -99.41 126.15 45.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -105.0 -33.31 8.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.428 ' CG ' ' HD3' ' A' ' 34' ' ' ARG . 12.4 p90 -177.0 -178.53 0.83 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.942 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 27.8 mt -114.88 117.22 54.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.083 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 16.8 p -140.73 156.15 69.06 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.409 ' CB ' ' HD2' ' A' ' 72' ' ' PRO . 17.1 Cg_endo -57.59 173.24 0.8 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.584 2.19 . . . . 0.0 112.084 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.409 ' HD2' ' CB ' ' A' ' 71' ' ' PRO . 18.8 Cg_endo -58.18 114.85 2.15 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.544 2.163 . . . . 0.0 112.237 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.7 mttm 61.83 77.22 0.34 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.988 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -159.2 28.53 0.2 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -139.16 126.45 3.36 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.423 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 10.9 tp -126.17 146.77 49.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.825 0.345 . . . . 0.0 110.93 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.432 ' CE1' ' HA3' ' A' ' 48' ' ' GLY . 93.3 m-85 -127.33 106.53 9.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.81 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.55 ' O ' HG22 ' A' ' 47' ' ' VAL . . . -131.39 176.34 8.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.183 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.0 m -76.38 166.13 23.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 8.3 m -63.26 -29.6 47.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.33 -30.49 68.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.94 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.7 ' O ' HD13 ' A' ' 83' ' ' ILE . 1.7 mtmt -97.79 36.66 1.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.96 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.707 HG13 HG21 ' A' ' 47' ' ' VAL . 23.1 mm -140.03 152.45 22.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.114 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.2 m -145.23 160.97 40.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.78 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.46 134.12 37.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.827 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.614 ' HB2' ' C ' ' A' ' 23' ' ' VAL . . . -98.0 34.5 1.91 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.054 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.5 t -144.44 -52.48 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 64.34 -78.81 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.965 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -79.53 72.18 6.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.071 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 6.7 t -107.21 156.14 19.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -178.21 155.18 16.3 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.537 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.12 -28.21 32.28 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.556 2.171 . . . . 0.0 112.307 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.65 131.73 40.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.834 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 70.7 p -149.13 -57.29 0.2 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.029 0 CA-C-O 118.349 -1.251 . . . . 0.0 112.509 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.23 0 N-CA-C 112.568 -0.213 . . . . 0.0 112.568 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 p -96.62 107.53 19.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.718 0.294 . . . . 0.0 110.946 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -116.38 -66.52 1.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.28 -55.33 0.65 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.478 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.6 p -156.84 34.57 0.3 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.767 0.318 . . . . 0.0 110.822 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.26 160.92 19.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.9 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.13 161.89 34.25 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.598 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -113.39 -44.73 0.77 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.459 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.603 ' OD1' HD12 ' A' ' 12' ' ' LEU . 2.7 t-20 -88.03 83.22 7.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.851 0.357 . . . . 0.0 110.846 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.502 ' C ' HD12 ' A' ' 10' ' ' LEU . 4.5 pp -87.45 -25.15 23.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.08 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.455 ' N ' HD12 ' A' ' 10' ' ' LEU . 2.0 mpp? -56.49 -59.75 4.53 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.043 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.681 HD22 ' O ' ' A' ' 17' ' ' LEU . 14.2 mt -59.12 -31.84 69.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.4 t -69.58 -46.72 65.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.8 -30.91 59.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.682 HD21 HG21 ' A' ' 80' ' ' VAL . 5.7 mt -72.66 -59.57 2.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.836 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.28 52.65 0.44 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.699 HD23 HD22 ' A' ' 33' ' ' LEU . 14.5 tp -154.79 160.6 41.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.848 0.356 . . . . 0.0 110.874 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.16 166.28 12.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.8 mt -79.05 159.13 27.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.37 22.01 58.01 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.562 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -105.38 157.41 17.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.774 0.321 . . . . 0.0 110.857 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.686 HH21 ' HB1' ' A' ' 86' ' ' ALA . 7.3 ttp180 -82.54 141.7 32.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.946 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.476 ' CG1' HD21 ' A' ' 17' ' ' LEU . 16.8 m -132.15 164.9 33.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.131 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.448 HD12 ' O ' ' A' ' 29' ' ' LYS . 23.9 tp -106.56 110.74 23.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.44 HD12 HD23 ' A' ' 51' ' ' LEU . 65.1 mt -92.32 131.62 37.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 59.37 25.47 14.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.048 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 55.75 36.49 65.78 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.695 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.33 -51.53 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.853 0.359 . . . . 0.0 110.891 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.448 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -73.29 161.84 30.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.1 p -123.72 143.98 49.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.825 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -142.61 -179.96 19.84 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.459 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.83 110.36 14.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.856 0.36 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.699 HD22 HD23 ' A' ' 17' ' ' LEU . 12.5 tp -60.51 125.05 22.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.424 ' HB2' ' CD2' ' A' ' 68' ' ' PHE . 4.9 mtp85 -121.91 -42.67 2.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.968 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -131.13 154.91 47.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.929 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.572 ' SG ' HG12 ' A' ' 47' ' ' VAL . 42.0 t -155.9 141.92 18.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 127.15 -139.85 11.48 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.533 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.503 HG22 ' H ' ' A' ' 44' ' ' GLY . 0.6 OUTLIER -88.93 162.28 16.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.779 0.323 . . . . 0.0 110.958 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.615 HG21 ' CE2' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -127.62 167.84 15.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.851 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.59 -30.94 26.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.615 ' CE2' HG21 ' A' ' 39' ' ' THR . 53.8 p90 -84.34 -31.0 25.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.93 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.65 105.5 4.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.243 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -78.61 117.73 20.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.503 ' H ' HG22 ' A' ' 38' ' ' THR . . . 164.69 -112.21 0.5 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.503 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -130.96 104.09 6.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.778 0.323 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 71.2 m95 -137.85 165.6 26.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.572 HG12 ' SG ' ' A' ' 36' ' ' CYS . 30.9 m -148.83 131.38 6.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -88.24 115.94 4.49 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.499 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.5 t -122.37 150.67 26.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.85 0.357 . . . . 0.0 111.088 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -105.97 116.46 31.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.882 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.44 HD23 HD12 ' A' ' 25' ' ' LEU . 50.1 mt -62.83 129.73 41.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.37 -34.97 78.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -86.58 156.24 56.23 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -62.26 75.63 0.1 OUTLIER 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.736 2.291 . . . . 0.0 112.314 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.403 ' O ' HD12 ' A' ' 51' ' ' LEU . 3.3 mt-10 -160.05 141.7 12.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.889 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 174.63 -169.1 42.0 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.557 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.7 mtmm -132.03 -46.43 0.93 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.891 0.377 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.488 ' OD1' HG22 ' A' ' 62' ' ' VAL . 10.2 m-80 -111.59 167.07 10.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -108.0 35.41 3.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.852 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 102.37 -47.02 1.18 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.45 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -103.21 133.88 47.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.821 0.343 . . . . 0.0 110.889 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.488 HG22 ' OD1' ' A' ' 58' ' ' ASN . 21.5 t -135.51 133.45 52.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.07 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 59.63 27.1 63.32 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.507 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.3 -29.6 9.94 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.544 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 28.5 t -73.14 149.6 8.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.826 0.346 . . . . 0.0 111.074 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.8 ttp180 -125.51 119.22 27.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -104.58 -32.68 8.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.966 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.424 ' CD2' ' HB2' ' A' ' 34' ' ' ARG . 33.6 p90 -171.61 -177.8 2.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 27.9 mm -117.68 144.25 26.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.025 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 28.4 p -168.31 151.48 5.5 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.947 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.47 171.34 0.21 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.52 2.147 . . . . 0.0 112.291 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.34 117.5 3.69 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.596 2.197 . . . . 0.0 112.247 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 42.2 mttp 60.19 102.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -172.2 -41.67 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.981 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.54 102.49 0.89 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.424 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.9 tp -104.93 127.82 52.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.824 0.345 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -103.9 122.37 45.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.857 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -141.25 179.55 6.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.135 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.5 m -94.16 146.75 23.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.682 HG21 HD21 ' A' ' 15' ' ' LEU . 16.5 m -57.63 -30.19 36.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.211 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 93.9 p -60.11 -30.22 69.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.025 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.0 mttm -102.08 32.51 3.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.976 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 40.2 mt -146.06 145.02 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.167 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.7 t -121.77 172.4 8.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.94 123.36 32.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.938 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.686 ' HB1' HH21 ' A' ' 22' ' ' ARG . . . -73.77 159.06 33.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.03 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 24.7 t -73.83 106.82 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -117.44 116.14 26.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.951 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -94.12 -54.21 3.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.69 35.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 79.0 92.22 0.35 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.526 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -68.81 107.92 1.78 Allowed 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.54 2.16 . . . . 0.0 112.314 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.86 135.9 36.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.82 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 12.9 p -97.86 -178.5 4.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.383 -1.232 . . . . 0.0 112.473 179.989 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.179 0 N-CA-C 112.54 -0.224 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.3 p 58.61 -176.48 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.897 0.379 . . . . 0.0 110.921 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -84.43 -54.54 4.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.82 -59.8 0.34 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.619 -0.8 . . . . 0.0 112.48 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.6 t -115.29 -58.32 2.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.826 0.346 . . . . 0.0 110.89 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.7 t -133.72 -59.73 0.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.36 -133.48 4.75 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.436 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.01 -119.93 5.92 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.434 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -109.52 162.39 14.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.796 0.332 . . . . 0.0 110.852 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.9 tp -90.72 -39.85 12.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.973 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.46 ' SD ' HG11 ' A' ' 80' ' ' VAL . 0.0 OUTLIER -75.34 -47.06 29.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.721 HD21 HD21 ' A' ' 33' ' ' LEU . 83.8 mt -61.01 -31.86 71.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.94 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 63.5 p -59.78 -30.78 69.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.979 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.81 -39.08 17.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.16 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.0 mt -70.04 -30.83 68.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.967 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.01 27.7 33.34 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.446 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 tp -123.64 164.72 18.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.837 0.351 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -125.42 148.76 48.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.773 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.2 mt -58.16 151.64 18.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.28 -28.46 15.64 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.483 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.26 170.49 16.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.821 0.343 . . . . 0.0 110.862 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -92.27 160.57 15.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 19.3 m -133.94 160.93 41.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 21.8 tp -95.95 121.13 37.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.817 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.62 HD23 HG23 ' A' ' 83' ' ' ILE . 21.5 mt -105.66 113.1 26.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.028 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 56.28 24.16 7.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.343 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 54.3 41.2 70.46 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.699 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -155.88 -48.68 0.08 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.823 0.344 . . . . 0.0 110.885 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.45 142.31 29.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.952 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.1 p -112.46 134.33 54.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -132.95 -174.06 13.49 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.461 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.7 m -124.2 122.82 38.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.875 0.369 . . . . 0.0 110.982 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.721 HD21 HD21 ' A' ' 12' ' ' LEU . 21.9 tp -68.33 123.76 21.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -113.12 -58.95 2.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -117.09 158.8 23.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.3 t -154.45 148.43 25.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 122.23 -146.25 16.8 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.512 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -106.42 141.46 37.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.848 0.356 . . . . 0.0 110.949 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 34.9 p -83.89 -178.31 6.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -105.26 -40.68 5.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.973 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -68.45 -31.53 70.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.936 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -131.36 -173.59 3.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.116 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 24.4 p -128.64 143.43 50.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 129.5 169.72 12.6 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.502 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -79.13 101.42 7.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.751 0.31 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -109.6 153.79 23.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.949 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.534 ' CG2' HD12 ' A' ' 83' ' ' ILE . 16.8 m -143.51 127.09 13.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -80.54 121.91 5.57 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.474 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.522 HG11 HD21 ' A' ' 25' ' ' LEU . 21.6 t -120.69 132.03 71.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.802 0.334 . . . . 0.0 111.133 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -95.65 115.03 26.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 18.5 mt -61.29 115.41 3.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.934 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.18 -31.38 70.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.934 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -94.77 161.51 28.42 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.998 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.56 83.73 0.82 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.547 2.164 . . . . 0.0 112.274 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -160.02 173.66 15.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.956 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 115.72 177.24 18.45 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.601 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.02 31.46 2.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.783 0.325 . . . . 0.0 110.801 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -145.28 167.98 21.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.852 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -129.48 26.01 5.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.031 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 94.34 -24.86 25.35 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.619 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 t -115.08 141.1 48.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.812 0.339 . . . . 0.0 110.978 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.6 t -123.19 113.52 38.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 63.83 -90.57 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.526 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -129.13 23.03 4.99 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.583 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.1 t -128.75 129.61 68.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.833 0.349 . . . . 0.0 110.971 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 34.3 ttm-85 -111.94 134.1 53.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.935 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -115.06 -42.14 3.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 30.1 p90 -159.22 -177.72 6.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.76 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 15.5 mt -126.19 142.77 41.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 8.7 p -161.1 160.84 24.52 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.6 172.06 0.18 Allowed 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.604 2.203 . . . . 0.0 112.253 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.29 106.26 0.14 Allowed 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.51 2.14 . . . . 0.0 112.343 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt 60.63 83.62 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.953 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.65 28.28 0.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.941 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -158.54 149.14 19.18 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.488 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -150.51 149.76 30.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.781 0.324 . . . . 0.0 110.946 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -106.07 123.88 48.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.579 ' HB3' HD11 ' A' ' 83' ' ' ILE . . . -132.54 179.58 6.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.17 160.27 14.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.46 HG11 ' SD ' ' A' ' 11' ' ' MET . 17.3 m -58.35 -34.57 50.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.165 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 31.7 t -67.51 -27.13 66.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.956 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.27 22.95 7.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.135 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.62 HG23 HD23 ' A' ' 25' ' ' LEU . 28.3 mt -150.72 156.47 6.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.033 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.449 ' N ' HG22 ' A' ' 83' ' ' ILE . 1.5 m -135.22 141.23 45.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -60.35 123.0 15.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -84.38 96.88 9.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.044 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.9 t -65.85 94.81 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.043 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -134.94 -46.9 0.72 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -109.06 90.25 3.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.078 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.93 -49.19 68.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.875 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -162.4 -176.8 34.86 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.554 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.17 -34.89 60.72 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.588 2.192 . . . . 0.0 112.326 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.61 136.3 6.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.82 94.31 4.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.344 -1.253 . . . . 0.0 112.497 -179.967 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.153 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.4 t -132.03 151.31 51.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.785 0.326 . . . . 0.0 110.941 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -165.55 133.79 3.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.828 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.9 26.12 16.64 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.538 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 p -161.72 29.68 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.736 0.303 . . . . 0.0 110.936 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.0 t -179.65 72.49 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.829 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.14 -37.4 1.66 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -144.53 179.68 21.58 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.471 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -134.02 107.03 7.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.823 0.344 . . . . 0.0 110.965 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.1 tp -98.53 -48.23 5.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.933 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.67 ' HE1' HG13 ' A' ' 80' ' ' VAL . 0.0 OUTLIER -60.21 -42.34 94.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.7 mt -73.35 -37.01 66.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.4 m -64.5 -39.08 93.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.03 -50.69 65.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.101 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.681 HD11 HG11 ' A' ' 80' ' ' VAL . 14.5 mt -64.07 -67.16 0.45 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 131.63 43.42 0.17 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.49 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.525 HD13 ' HG2' ' A' ' 85' ' ' LYS . 1.1 tp -139.05 154.03 48.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.812 0.339 . . . . 0.0 110.902 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.1 mtt-85 -115.02 149.55 37.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 70.0 mt -59.09 167.92 1.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.916 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.94 19.4 50.33 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.649 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -108.25 167.34 10.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.841 0.353 . . . . 0.0 110.918 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.16 154.99 16.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.3 m -138.12 169.25 18.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.152 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.5 tp -110.89 113.82 26.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.908 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.485 HD12 HD23 ' A' ' 51' ' ' LEU . 79.9 mt -90.5 123.1 33.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 61.27 28.05 17.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.98 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 56.84 27.21 55.85 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.585 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 -152.26 -64.68 0.17 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.833 0.349 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.56 152.91 24.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.821 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.7 p -114.56 132.09 56.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -140.96 155.97 25.26 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.546 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.14 128.67 53.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.362 . . . . 0.0 110.874 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.753 HD11 ' HB ' ' A' ' 47' ' ' VAL . 8.9 tp -77.24 147.64 36.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.816 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.426 ' HD3' ' CG ' ' A' ' 68' ' ' PHE . 12.0 mtp180 -142.11 -46.84 0.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -113.66 150.17 33.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.502 ' HA ' HG12 ' A' ' 47' ' ' VAL . 30.4 p -142.75 143.0 32.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 112.39 178.56 19.82 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.525 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 73.7 p -59.1 162.19 4.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.724 0.297 . . . . 0.0 110.966 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.846 HG23 ' HB2' ' A' ' 46' ' ' TRP . 9.7 p -104.89 -178.88 3.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.86 -28.02 13.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -113.58 37.77 3.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.991 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.529 ' HB3' ' OG1' ' A' ' 39' ' ' THR . . . -174.68 160.65 3.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.18 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 12.5 t -104.45 150.54 24.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 95.39 178.45 37.05 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.448 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -82.68 130.91 35.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.81 0.338 . . . . 0.0 110.959 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.846 ' HB2' HG23 ' A' ' 39' ' ' THR . 25.2 m95 -129.34 161.61 29.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.753 ' HB ' HD11 ' A' ' 33' ' ' LEU . 8.5 m -146.41 130.65 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.108 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -77.55 122.39 6.08 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.443 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.701 HG21 HD13 ' A' ' 83' ' ' ILE . 21.4 t -122.64 144.58 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.348 . . . . 0.0 111.16 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -112.14 110.0 20.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.82 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.485 HD23 HD12 ' A' ' 25' ' ' LEU . 56.1 mt -59.99 143.52 51.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -79.47 -53.28 7.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -74.2 156.59 87.46 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.8 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -59.58 80.91 0.06 OUTLIER 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.616 2.211 . . . . 0.0 112.281 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -151.98 138.85 18.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.818 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 149.31 171.76 18.27 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.462 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.5 tptp -141.92 31.59 1.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.805 0.336 . . . . 0.0 110.855 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -159.32 163.26 35.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -106.38 33.05 4.05 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.94 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.434 ' HA3' ' CE2' ' A' ' 68' ' ' PHE . . . 65.07 28.53 73.65 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.478 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 35.7 t -157.56 160.38 38.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.803 0.335 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.453 HG12 ' N ' ' A' ' 63' ' ' GLY . 21.4 t -130.6 156.99 42.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.085 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.453 ' N ' HG12 ' A' ' 62' ' ' VAL . . . -59.73 90.76 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.452 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 127.7 -28.68 4.39 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.461 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.6 t -137.7 130.15 41.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.809 0.337 . . . . 0.0 111.16 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.3 ttm105 -107.66 113.21 26.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -84.51 -43.62 14.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.434 ' CE2' ' HA3' ' A' ' 60' ' ' GLY . 15.8 p90 -169.09 178.21 4.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.915 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 1.3 pp -119.68 140.12 44.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.056 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 10.1 p -163.27 161.2 18.28 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.943 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_exo -51.74 167.96 0.38 Allowed 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.566 2.178 . . . . 0.0 112.233 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -60.94 123.39 12.85 Favored 'Trans proline' 0 C--N 1.345 0.395 0 C-N-CA 122.534 2.156 . . . . 0.0 112.215 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.82 88.77 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -165.86 -42.91 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -71.27 135.11 23.6 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.503 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -141.18 134.71 29.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.814 0.34 . . . . 0.0 110.866 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -101.92 140.77 35.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.827 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.638 ' HB3' HD11 ' A' ' 83' ' ' ILE . . . -159.64 176.31 12.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.159 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 51.1 m -99.91 157.51 16.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.681 HG11 HD11 ' A' ' 15' ' ' LEU . 5.2 m -56.85 -28.35 28.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.298 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 29.9 p -62.04 -30.75 71.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.958 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -106.49 27.85 8.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.067 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.701 HD13 HG21 ' A' ' 49' ' ' VAL . 37.0 mt -148.82 139.01 16.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.977 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.23 177.3 4.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.525 ' HG2' HD13 ' A' ' 17' ' ' LEU . 1.5 mtmt -94.63 44.58 1.11 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.978 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . 58.75 171.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.7 t -80.54 90.62 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.115 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.7 p30 -125.03 -177.29 3.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.939 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.43 77.64 3.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 21.4 t -87.14 126.18 34.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -107.51 91.81 0.72 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.512 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -69.09 129.01 17.51 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.561 2.174 . . . . 0.0 112.353 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.9 m -98.34 34.84 1.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.964 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 24.0 p -95.99 -31.16 13.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.086 0 CA-C-O 118.384 -1.231 . . . . 0.0 112.498 -179.973 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.274 0 N-CA-C 112.575 -0.21 . . . . 0.0 112.575 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.26 142.16 33.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.799 0.333 . . . . 0.0 110.942 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 p -167.91 176.85 5.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.49 157.35 16.58 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.538 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.48 112.42 16.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.852 0.358 . . . . 0.0 110.899 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -142.69 174.8 10.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.48 29.22 5.97 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.457 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -68.11 -39.79 88.48 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.563 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.668 ' OD1' HD12 ' A' ' 12' ' ' LEU . 62.6 m-20 -148.23 119.04 7.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.892 0.377 . . . . 0.0 110.88 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.5 tp -90.64 -63.69 1.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 74.0 mmm -92.97 -29.33 15.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.923 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.668 HD12 ' OD1' ' A' ' 9' ' ' ASN . 62.3 mt -58.05 -31.61 67.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.58 -31.59 47.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.88 -46.04 15.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.158 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 47.9 mt -61.04 -63.36 1.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.955 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 128.73 42.24 0.25 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.508 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.456 HD13 ' CG ' ' A' ' 85' ' ' LYS . 18.2 tp -154.94 149.19 26.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.836 0.35 . . . . 0.0 110.835 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.8 mtt-85 -115.61 167.68 10.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.835 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.513 ' HA ' HD23 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -75.55 148.54 38.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.04 -33.7 6.36 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.582 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.43 167.12 22.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.863 0.364 . . . . 0.0 110.799 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.4 mtt-85 -85.96 158.39 19.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.941 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 23.2 m -134.59 156.37 40.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.138 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.501 ' HB2' ' HB2' ' A' ' 86' ' ' ALA . 11.6 tp -99.3 116.49 31.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.578 HD23 HG23 ' A' ' 83' ' ' ILE . 25.5 mt -102.43 121.74 42.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 59.68 25.4 14.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.034 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 55.58 50.43 60.48 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.701 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.85 -70.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.841 0.353 . . . . 0.0 110.962 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.4 135.12 55.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.69 144.83 25.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -142.41 167.68 26.06 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.519 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.87 123.24 45.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.83 0.348 . . . . 0.0 110.868 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.513 HD23 ' HA ' ' A' ' 19' ' ' LEU . 10.6 tp -64.27 137.32 57.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.2 mmp_? -131.41 -46.08 0.99 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.447 ' CD1' ' N ' ' A' ' 36' ' ' CYS . 47.8 t80 -139.71 156.81 46.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.6 ' HA ' HG12 ' A' ' 47' ' ' VAL . 49.6 t -148.87 149.02 30.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 116.89 -145.37 18.69 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.467 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 58.8 p -80.92 -178.76 7.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.788 0.327 . . . . 0.0 110.943 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.517 ' OG1' ' HB3' ' A' ' 42' ' ' ALA . 0.8 OUTLIER -138.86 -177.91 5.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -98.56 -32.33 11.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.909 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 9.1 p90 -106.66 28.06 8.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.968 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.517 ' HB3' ' OG1' ' A' ' 39' ' ' THR . . . -166.57 158.15 13.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.092 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 28.8 t -126.29 119.88 28.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 137.37 -131.29 5.47 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.462 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -111.38 122.3 47.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.808 0.337 . . . . 0.0 110.917 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 91.4 m95 -145.99 149.86 34.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.634 HG22 ' O ' ' A' ' 78' ' ' ALA . 27.3 m -142.69 146.86 21.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.162 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -94.14 119.68 6.11 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.53 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.467 HG21 HD13 ' A' ' 83' ' ' ILE . 21.4 t -121.75 141.9 40.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.908 0.385 . . . . 0.0 111.119 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -105.23 112.42 25.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 37.1 mt -63.98 131.2 46.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.021 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -70.64 -33.16 70.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.826 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.49 154.7 79.03 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -67.48 66.51 0.76 Allowed 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.54 2.16 . . . . 0.0 112.254 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -157.24 146.8 20.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 179.23 -149.42 8.76 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.497 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.81 -46.23 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.823 0.344 . . . . 0.0 110.948 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -104.1 158.85 16.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.948 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -101.67 24.96 9.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 95.43 -32.93 5.81 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.675 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 t -112.39 139.09 48.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.806 0.336 . . . . 0.0 111.003 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.9 t -152.26 142.37 15.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 58.86 23.85 56.91 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.623 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 95.67 -32.27 6.44 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.527 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.5 t -80.4 138.66 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.846 0.355 . . . . 0.0 111.152 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.4 ttt85 -111.6 118.98 37.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -88.5 -33.65 17.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.906 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 32.2 p90 -175.96 -179.25 1.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.904 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.2 pt -119.05 135.06 60.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.072 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 30.8 p -161.05 160.74 24.65 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_exo -51.26 167.62 0.33 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.531 2.154 . . . . 0.0 112.295 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -60.37 125.05 16.42 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.601 2.2 . . . . 0.0 112.156 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.3 mtmm 61.82 88.91 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.797 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -166.59 -42.53 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.986 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.3 111.82 4.26 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.528 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.38 141.05 52.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.845 0.355 . . . . 0.0 110.907 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -104.81 137.21 42.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.634 ' O ' HG22 ' A' ' 47' ' ' VAL . . . -146.59 166.55 26.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.64 149.51 26.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 17.8 m -57.45 -37.64 58.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.246 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.4 t -65.02 -24.94 67.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.093 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -97.14 27.56 4.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.157 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.631 HD11 ' HB3' ' A' ' 78' ' ' ALA . 34.2 mt -149.96 143.12 17.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.105 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.3 m -119.35 179.67 4.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.456 ' CG ' HD13 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -90.05 122.22 32.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.971 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.501 ' HB2' ' HB2' ' A' ' 24' ' ' LEU . . . -112.22 75.77 0.94 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.076 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.416 HG13 ' HD3' ' A' ' 85' ' ' LYS . 23.0 m -98.7 143.4 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.148 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.6 t70 60.69 178.73 0.1 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -148.03 34.26 0.82 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.159 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 29.3 t -124.31 155.56 38.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -94.75 -167.63 36.41 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.529 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.25 -28.95 22.27 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.589 2.192 . . . . 0.0 112.302 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -94.5 -48.62 6.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.7 t 60.79 86.77 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.398 -1.223 . . . . 0.0 112.531 179.985 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.18 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.9 m -109.67 -53.51 2.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.903 0.383 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.21 -77.82 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.943 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.51 32.63 6.53 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.514 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -99.13 -60.5 1.52 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.779 0.323 . . . . 0.0 110.87 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.8 t -159.15 90.78 0.99 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.957 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.79 93.64 1.86 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.494 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -95.72 -55.97 1.28 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.527 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.404 ' CB ' ' HB2' ' A' ' 12' ' ' LEU . 0.8 OUTLIER 61.09 -166.6 0.2 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.783 0.325 . . . . 0.0 110.803 -179.923 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -97.45 -69.9 0.74 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.068 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 7.4 mmt -70.23 -35.2 73.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.054 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.829 HD22 ' O ' ' A' ' 17' ' ' LEU . 9.4 mt -57.85 -35.27 70.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.969 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 97.1 p -66.71 -32.25 73.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.931 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.53 -31.36 47.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.055 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.4 mt -84.19 -49.88 8.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.861 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.89 39.79 2.26 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.468 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.829 ' O ' HD22 ' A' ' 12' ' ' LEU . 5.9 tp -132.49 166.24 22.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.768 0.318 . . . . 0.0 110.877 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.9 mtt180 -125.15 156.95 37.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.433 HD22 ' C ' ' A' ' 34' ' ' ARG . 94.5 mt -64.79 106.1 1.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 144.49 -27.98 1.94 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.596 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -72.45 173.28 9.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.915 0.388 . . . . 0.0 110.853 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.52 155.11 17.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 26.2 m -140.34 156.76 24.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.101 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' A' ' 24' ' ' LEU . 12.4 tp -96.09 119.2 34.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.88 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.687 HD12 HD23 ' A' ' 51' ' ' LEU . 33.3 mt -102.21 118.91 37.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 t70 60.59 26.84 16.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 55.62 26.97 47.61 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.522 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -144.35 -71.43 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.841 0.353 . . . . 0.0 110.837 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.7 171.0 5.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.7 p -140.87 143.12 34.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -149.96 177.25 28.21 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.484 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.7 m -111.3 132.89 54.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.789 0.328 . . . . 0.0 110.838 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.691 ' CD2' HD21 ' A' ' 12' ' ' LEU . 19.7 tp -71.89 131.15 42.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.433 ' C ' HD22 ' A' ' 19' ' ' LEU . 2.3 mtp180 -125.33 -44.4 1.87 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.4 ' CD2' ' N ' ' A' ' 36' ' ' CYS . 70.0 t80 -122.27 162.12 22.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.939 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.577 ' SG ' HG12 ' A' ' 47' ' ' VAL . 2.4 t -157.7 136.18 11.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 128.41 -154.42 19.98 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.521 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.9 t -65.96 -171.17 0.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.823 0.344 . . . . 0.0 110.961 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.51 HG23 ' HB2' ' A' ' 46' ' ' TRP . 0.8 OUTLIER -145.26 -177.25 5.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.9 -31.54 17.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -105.61 31.14 5.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.414 ' HB3' ' OG1' ' A' ' 39' ' ' THR . . . -175.66 160.5 2.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 96.8 p -110.01 -30.6 7.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.32 -163.57 0.1 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.525 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -87.89 136.69 32.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.836 0.35 . . . . 0.0 110.882 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.51 ' HB2' HG23 ' A' ' 39' ' ' THR . 49.2 m95 -143.52 168.43 19.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.577 HG12 ' SG ' ' A' ' 36' ' ' CYS . 30.9 m -151.1 138.28 13.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.061 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -96.47 121.16 6.89 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.549 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.0 t -127.03 145.86 33.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.883 0.373 . . . . 0.0 111.047 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -101.86 111.58 23.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.687 HD23 HD12 ' A' ' 25' ' ' LEU . 6.7 mt -63.87 123.72 19.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.868 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -60.83 -31.42 70.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.95 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -83.39 160.26 59.9 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.1 62.67 2.56 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.624 2.216 . . . . 0.0 112.313 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -156.74 157.16 34.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 153.13 -33.53 0.79 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.534 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.23 34.36 20.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.804 0.335 . . . . 0.0 110.913 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -155.01 143.42 20.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -108.78 34.4 3.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.51 28.41 71.21 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.555 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.9 t -152.45 149.09 28.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.856 0.36 . . . . 0.0 110.909 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.5 t -150.41 118.35 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.094 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 63.04 -121.34 24.44 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.454 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -103.49 29.58 12.01 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.546 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.5 t -133.77 152.21 34.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.856 0.36 . . . . 0.0 111.104 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.7 ttm-85 -126.33 153.09 45.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -127.32 -45.14 1.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 23.6 p90 -171.45 165.22 7.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 23.2 pt -105.28 129.76 57.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.062 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 25.8 p -152.06 161.25 29.96 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_exo -51.47 168.08 0.32 Allowed 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.533 2.156 . . . . 0.0 112.203 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -56.03 114.55 1.95 Allowed 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.568 2.179 . . . . 0.0 112.162 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 21.0 mttt 62.5 96.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -159.82 -45.5 0.05 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.9 162.02 39.58 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.51 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.441 HD22 HD11 ' A' ' 51' ' ' LEU . 15.1 tp -160.01 119.85 2.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.855 0.359 . . . . 0.0 110.827 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -99.49 133.15 44.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -156.4 179.98 8.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.05 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 25.0 m -87.28 152.62 22.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 10.3 m -59.76 -30.75 45.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.126 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.31 -30.86 69.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.951 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -97.99 27.48 4.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.01 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.524 HD12 ' CG2' ' A' ' 47' ' ' VAL . 22.4 mt -150.5 146.86 16.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.034 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 68.3 m -124.08 179.42 4.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -96.82 41.37 1.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.83 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . 61.03 164.19 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.087 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.5 t -75.54 110.35 10.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.177 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 24.3 p-10 -126.08 78.72 1.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.845 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -109.05 -20.68 12.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.338 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.87 97.54 0.05 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.775 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 173.43 -53.28 0.16 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.446 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.3 -30.22 41.71 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.616 2.21 . . . . 0.0 112.274 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 38.6 p -101.4 130.21 47.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.827 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.51 -42.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.385 -1.231 . . . . 0.0 112.46 -179.979 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.215 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.7 t 60.23 31.62 20.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.896 0.379 . . . . 0.0 110.881 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.6 p -79.73 80.16 6.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.04 -132.83 1.6 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.492 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -67.92 87.6 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.781 0.324 . . . . 0.0 110.94 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.7 t -115.87 163.68 15.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.35 106.66 1.8 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.508 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -161.71 88.45 0.11 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.536 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -84.89 97.26 9.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.861 0.362 . . . . 0.0 110.821 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.3 mp -82.39 -69.46 0.62 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -84.7 -30.98 24.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.4 mt -59.76 -33.49 71.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.762 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.4 t -76.05 -38.15 57.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.97 -31.01 70.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.182 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.834 HD11 HG11 ' A' ' 80' ' ' VAL . 3.8 mt -93.43 -61.54 1.54 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 123.62 40.16 0.47 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.433 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.6 tp -138.77 158.97 43.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.882 0.372 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -128.7 159.11 36.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 50.6 mt -62.84 149.42 44.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.65 -30.86 8.54 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.462 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -74.99 154.96 37.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.784 0.326 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -86.64 156.84 19.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.739 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.4 m -141.15 178.83 2.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.102 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.5 tp -119.65 117.25 27.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.932 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.611 HD23 HG23 ' A' ' 83' ' ' ILE . 13.1 mt -98.17 131.3 44.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.824 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 59.72 25.5 14.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.036 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 54.97 41.72 78.07 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.579 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -164.99 -68.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.864 0.364 . . . . 0.0 110.919 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.43 144.77 56.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 43.8 p -112.52 138.68 48.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -146.12 -178.44 21.56 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.507 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 64.7 m -123.91 126.06 45.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.812 0.339 . . . . 0.0 110.874 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.498 HD12 HG22 ' A' ' 49' ' ' VAL . 14.0 tp -67.9 114.77 6.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.425 ' HB3' ' CD1' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -105.19 -36.51 7.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -135.28 160.16 39.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.805 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.555 ' SG ' HG12 ' A' ' 47' ' ' VAL . 24.4 t -159.66 147.52 17.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.942 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 119.79 -168.26 13.61 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.484 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.0 t -71.37 -171.27 0.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.838 0.352 . . . . 0.0 110.882 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 21.4 p -135.57 175.92 9.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -109.41 28.24 8.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 19.6 p90 -161.33 29.07 0.13 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.964 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -177.76 137.17 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.084 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.4 m -91.18 84.27 5.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.845 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -176.79 -163.89 29.79 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.529 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -109.4 136.5 48.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.858 0.361 . . . . 0.0 110.893 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 81.7 m95 -143.35 162.52 35.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.961 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.598 HG22 ' O ' ' A' ' 78' ' ' ALA . 5.4 m -151.21 128.59 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -85.02 125.05 7.02 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.52 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.498 HG22 HD12 ' A' ' 33' ' ' LEU . 21.3 t -133.32 133.03 58.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.894 0.378 . . . . 0.0 111.131 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -81.35 132.46 35.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.802 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 92.3 mt -84.27 123.19 29.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.972 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -58.01 -49.01 78.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.937 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -84.01 161.43 55.31 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.815 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -68.44 78.47 0.65 Allowed 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.481 2.121 . . . . 0.0 112.283 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -142.02 165.36 27.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.809 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 109.59 -172.77 16.31 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.546 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -153.9 32.03 0.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.851 0.357 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 53.7 m-80 -151.63 141.84 22.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -101.48 31.47 3.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 85.78 28.69 28.44 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.512 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 73.9 p -149.75 117.77 6.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.85 0.357 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.7 t -119.93 122.88 69.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.142 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 59.71 -124.75 37.22 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.448 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -105.76 32.2 7.65 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.472 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.5 t -141.99 121.81 10.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.81 0.338 . . . . 0.0 111.106 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.0 ttp-105 -100.04 141.13 33.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -113.9 -43.89 3.22 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.981 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.425 ' CD1' ' HB3' ' A' ' 34' ' ' ARG . 49.8 p90 -165.47 -176.47 3.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.976 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.403 HG22 ' N ' ' A' ' 70' ' ' CYS . 26.3 mt -120.02 154.09 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.138 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.403 ' N ' HG22 ' A' ' 69' ' ' ILE . 4.9 p -171.11 157.88 5.02 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo -57.63 171.92 1.26 Allowed 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.657 2.238 . . . . 0.0 112.311 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_exo -51.95 119.02 5.08 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.589 2.192 . . . . 0.0 112.485 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt 58.26 76.18 0.35 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.076 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -157.17 26.2 0.31 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.072 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -144.59 116.48 0.95 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.477 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.0 tp -123.68 144.79 49.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.935 0.398 . . . . 0.0 110.82 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -121.71 126.62 49.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.598 ' O ' HG22 ' A' ' 47' ' ' VAL . . . -150.69 -179.97 7.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.142 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 m -85.96 158.38 19.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.834 HG11 HD11 ' A' ' 15' ' ' LEU . 10.3 m -61.61 -30.84 49.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.087 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 29.5 t -61.11 -27.82 68.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.981 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.9 mttp -97.75 30.32 3.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.019 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.611 HG23 HD23 ' A' ' 25' ' ' LEU . 24.2 mt -149.88 148.65 15.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.034 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 84.2 p -134.56 146.82 50.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.424 ' HG2' HG23 ' A' ' 87' ' ' VAL . 0.0 OUTLIER -60.23 131.44 50.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.926 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -97.11 39.11 1.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.095 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' VAL . . . . . 0.424 HG23 ' HG2' ' A' ' 85' ' ' LYS . 21.5 t -114.68 129.87 70.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.077 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -74.33 -179.2 3.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -156.34 -56.48 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.069 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.54 86.7 1.68 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 77.0 149.57 3.31 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.478 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -52.68 139.3 58.35 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.641 2.228 . . . . 0.0 112.343 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 34.0 t -137.03 92.34 2.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.3 m -112.66 98.01 6.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.356 -1.247 . . . . 0.0 112.443 -179.979 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.205 0 N-CA-C 112.542 -0.223 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -152.08 160.38 43.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.779 0.323 . . . . 0.0 110.894 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.0 m -78.37 173.46 12.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.836 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.95 104.25 1.52 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.481 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.0 t 60.63 50.95 5.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.925 0.393 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.7 m 62.79 -80.23 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.004 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.97 93.17 0.11 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.539 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -107.72 -101.22 2.7 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.515 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 60.64 94.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.797 0.332 . . . . 0.0 110.948 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.7 tt -99.88 -55.22 2.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 8.3 tpt -75.77 -33.73 60.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 1.025 HD23 HD12 ' A' ' 15' ' ' LEU . 6.7 mt -70.85 -28.67 64.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.972 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.6 p -56.93 -30.31 63.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.86 -30.94 26.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.121 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 1.025 HD12 HD23 ' A' ' 12' ' ' LEU . 37.4 mt -72.36 -53.92 10.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 116.62 33.64 1.4 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.528 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.402 HD13 ' HG3' ' A' ' 85' ' ' LYS . 1.3 tp -143.99 148.33 35.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.837 0.351 . . . . 0.0 110.932 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -99.16 172.66 7.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.558 HD21 ' SG ' ' A' ' 36' ' ' CYS . 85.3 mt -82.72 145.93 29.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.59 -29.37 10.48 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.481 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -69.31 150.89 46.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.762 0.315 . . . . 0.0 110.966 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.8 149.46 41.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.563 HG22 ' O ' ' A' ' 31' ' ' GLY . 21.9 m -134.27 167.31 26.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.131 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.7 tp -107.95 100.87 10.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.665 HD21 HG11 ' A' ' 49' ' ' VAL . 35.6 mt -75.41 126.26 30.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 59.9 23.48 12.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.126 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 54.44 51.71 49.72 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.719 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -176.21 -49.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.884 0.373 . . . . 0.0 110.939 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -82.0 143.13 31.8 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 40.6 p -99.26 118.49 36.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.944 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.563 ' O ' HG22 ' A' ' 23' ' ' VAL . . . -130.17 138.74 10.42 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.43 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 63.1 m -88.49 116.39 26.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.801 0.334 . . . . 0.0 110.964 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.817 HD12 HG22 ' A' ' 49' ' ' VAL . 9.1 tp -75.04 147.05 41.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.801 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.46 ' O ' HD22 ' A' ' 19' ' ' LEU . 1.6 mmp_? -135.84 -46.62 0.66 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.992 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -121.85 155.49 35.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.564 ' HA ' HG12 ' A' ' 47' ' ' VAL . 30.6 p -148.77 134.69 19.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.84 -132.59 6.09 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.497 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.2 t -108.69 172.59 6.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.829 0.347 . . . . 0.0 110.845 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.1 p -111.19 179.22 4.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -103.23 -29.62 11.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.03 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.411 ' CD2' HG11 ' A' ' 62' ' ' VAL . 25.5 p90 -86.81 -29.69 22.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.958 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -129.69 -169.73 2.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.043 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.5 -178.86 5.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 86.63 -170.17 41.88 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.514 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -77.67 123.49 26.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.861 0.362 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 88.8 m95 -147.9 151.34 35.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.573 HG22 ' O ' ' A' ' 78' ' ' ALA . 27.6 m -150.02 148.18 15.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.153 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -93.72 124.44 7.84 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.509 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.817 HG22 HD12 ' A' ' 33' ' ' LEU . 14.5 t -133.17 144.38 36.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.855 0.36 . . . . 0.0 111.114 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -104.85 118.37 36.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 84.7 mt -66.9 130.73 44.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.857 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -64.01 -40.28 96.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -79.24 160.97 69.57 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.57 64.19 2.27 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.551 2.167 . . . . 0.0 112.261 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -146.46 159.57 43.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 156.76 -165.25 33.01 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.472 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -154.9 30.4 0.41 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.806 0.336 . . . . 0.0 110.883 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -173.89 159.69 3.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -108.33 31.19 5.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 73.27 33.14 59.34 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.535 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.0 m -158.95 148.52 18.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.816 0.341 . . . . 0.0 110.913 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.411 HG11 ' CD2' ' A' ' 41' ' ' PHE . 21.5 t -141.69 107.08 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.185 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 59.6 -114.12 5.94 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.542 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -100.42 28.25 16.69 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.575 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.5 t -135.43 149.66 28.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.857 0.36 . . . . 0.0 111.07 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.25 131.28 27.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -102.84 -31.86 10.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 19.6 p90 -170.29 170.16 7.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.8 mt -109.37 115.64 50.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 30.7 p -141.39 160.97 55.16 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.974 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.34 168.7 0.9 Allowed 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.628 2.218 . . . . 0.0 112.225 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -62.54 119.84 7.11 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.54 2.16 . . . . 0.0 112.231 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.9 mtmt 62.14 88.03 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -160.85 -44.01 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -81.08 148.58 28.57 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.535 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.3 tp -143.9 149.19 36.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.815 0.341 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -109.19 126.87 53.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.839 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.573 ' O ' HG22 ' A' ' 47' ' ' VAL . . . -139.56 167.68 21.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.075 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.7 m -81.08 147.54 30.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 7.3 m -59.0 -29.86 42.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.166 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.02 -29.45 70.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.001 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.4 mmpt? -98.58 31.73 2.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.582 HG23 HD23 ' A' ' 25' ' ' LEU . 35.7 mt -146.57 154.04 12.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.068 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.407 ' N ' HG22 ' A' ' 83' ' ' ILE . 0.3 OUTLIER -134.99 166.67 22.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LYS . . . . . 0.402 ' HG3' HD13 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -78.05 126.18 30.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -82.44 147.07 28.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.4 t -141.41 125.53 16.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.127 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -73.79 78.19 1.58 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -149.98 82.05 1.38 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.11 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.43 107.08 1.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.837 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 156.46 -145.28 11.9 Favored Glycine 0 CA--C 1.518 0.275 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.454 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -50.81 137.35 42.84 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.568 2.179 . . . . 0.0 112.315 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.5 p -160.33 153.3 21.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 68.13 -70.29 0.13 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.933 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.373 -1.237 . . . . 0.0 112.494 179.967 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.171 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -83.4 151.14 25.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.815 0.341 . . . . 0.0 110.903 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m 60.49 -176.46 0.11 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.35 -33.88 0.13 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.572 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.1 m -89.11 -55.04 3.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.805 0.335 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.4 t -72.1 102.34 2.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.85 39.47 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.477 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 166.39 -128.07 1.7 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.483 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -70.25 75.73 0.52 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.931 0.396 . . . . 0.0 110.892 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.487 HD23 ' HG2' ' A' ' 11' ' ' MET . 2.4 tp -77.14 -66.08 0.87 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.872 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.745 ' HB2' HG11 ' A' ' 80' ' ' VAL . 44.0 mmm -86.77 -26.54 24.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.073 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.509 HD11 ' SG ' ' A' ' 36' ' ' CYS . 46.0 mt -56.31 -34.18 66.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.026 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 m -68.96 -31.37 70.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.86 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.53 -39.42 58.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.094 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mt -75.48 -57.4 3.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 119.6 38.09 0.74 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.489 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.8 tp -132.74 154.4 50.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.795 0.331 . . . . 0.0 110.867 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.4 mtm-85 -109.24 168.95 9.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.951 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.4 mt -73.15 149.22 43.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.16 -37.44 3.48 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.515 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.6 167.45 5.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.839 0.352 . . . . 0.0 110.866 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.7 mtm-85 -87.84 163.98 16.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.4 m -142.31 149.09 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.172 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.1 tp -94.56 108.54 20.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.46 HD23 HG23 ' A' ' 83' ' ' ILE . 44.2 mt -88.79 123.4 33.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.941 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 59.41 24.58 13.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.062 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 54.49 26.95 39.74 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.729 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -146.16 -52.92 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.817 0.341 . . . . 0.0 110.932 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.37 166.53 23.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.953 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.5 p -135.9 129.68 32.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.936 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -141.92 162.79 27.07 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.507 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.9 m -101.76 140.57 35.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 0.0 110.879 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.503 HD21 ' SG ' ' A' ' 36' ' ' CYS . 13.4 tp -83.49 147.71 27.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.444 ' HD3' ' CG ' ' A' ' 68' ' ' PHE . 3.3 mtp85 -142.55 -54.49 0.42 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.87 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -117.11 152.75 34.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.509 ' SG ' HD11 ' A' ' 12' ' ' LEU . 53.6 m -154.87 149.21 26.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 118.49 -142.25 16.76 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.55 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.1 p -91.11 166.04 13.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 111.015 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.454 HG23 ' HB2' ' A' ' 46' ' ' TRP . 11.7 p -109.35 170.83 7.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -107.52 46.55 0.93 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.429 ' CD1' ' N ' ' A' ' 42' ' ' ALA . 25.9 p90 -167.67 -42.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.994 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.429 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . -105.78 -31.99 8.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.082 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.0 m 60.43 98.13 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 169.32 178.92 40.92 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.444 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.6 mp0 -60.28 99.93 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.81 0.338 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' TRP . . . . . 0.454 ' HB2' HG23 ' A' ' 39' ' ' THR . 99.2 m95 -137.63 153.14 49.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.462 HG22 ' O ' ' A' ' 78' ' ' ALA . 18.2 m -147.48 136.53 15.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.121 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -86.15 116.95 4.49 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.464 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.5 t -123.74 130.49 73.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.86 0.362 . . . . 0.0 111.159 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -93.95 120.68 34.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.557 HD12 ' O ' ' A' ' 55' ' ' GLU . 56.6 mt -75.45 132.52 40.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.47 -51.65 64.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -81.9 148.82 61.94 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -52.98 89.3 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.509 2.14 . . . . 0.0 112.326 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.557 ' O ' HD12 ' A' ' 51' ' ' LEU . 0.7 OUTLIER -157.36 130.31 7.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 157.21 172.39 24.37 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.444 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.7 mtmm -131.58 29.57 4.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.867 0.365 . . . . 0.0 110.953 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.47 ' OD1' HG22 ' A' ' 62' ' ' VAL . 9.6 m-80 -152.63 174.84 13.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -128.08 24.02 6.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.045 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 95.39 -29.13 10.01 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.617 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.8 m -117.65 135.92 53.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.759 0.314 . . . . 0.0 110.966 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.47 HG22 ' OD1' ' A' ' 58' ' ' ASN . 30.4 t -128.35 122.48 57.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.059 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 65.79 -102.24 0.68 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.46 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -127.41 28.08 4.59 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.498 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.4 t -133.46 132.05 57.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.84 0.352 . . . . 0.0 111.128 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 -105.24 123.21 47.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -99.78 -37.81 8.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.821 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.444 ' CG ' ' HD3' ' A' ' 34' ' ' ARG . 13.3 p90 -174.59 170.58 3.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 29.4 mt -110.59 115.65 50.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.084 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 31.5 p -142.66 160.36 53.96 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.948 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.78 169.09 0.9 Allowed 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.527 2.152 . . . . 0.0 112.108 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_endo -61.06 125.73 17.77 Favored 'Trans proline' 0 C--N 1.343 0.261 0 C-N-CA 122.549 2.166 . . . . 0.0 112.172 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.1 mttp 60.59 87.6 0.09 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -162.94 -43.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -67.86 131.55 28.52 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.485 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.5 tp -138.75 123.34 18.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.927 0.394 . . . . 0.0 110.928 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -104.31 102.35 12.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.462 ' O ' HG22 ' A' ' 47' ' ' VAL . . . -118.98 179.32 4.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.8 m -88.41 155.27 19.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.745 HG11 ' HB2' ' A' ' 11' ' ' MET . 10.6 m -59.76 -36.36 65.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.021 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.96 -25.44 66.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.083 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.6 mmmt -96.94 32.98 1.99 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.009 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.46 HG23 HD23 ' A' ' 25' ' ' LEU . 25.8 mt -148.22 155.33 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.111 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.423 ' N ' HG22 ' A' ' 83' ' ' ILE . 8.5 t -133.02 159.57 39.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -67.44 132.5 47.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -84.71 170.75 12.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.162 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 22.1 t 68.13 -69.87 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.192 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.41 ' O ' ' HB3' ' A' ' 89' ' ' ALA . 0.5 OUTLIER 55.21 52.08 12.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.011 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 88' ' ' ASP . . . 68.13 -70.41 0.13 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.153 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.6 m 61.0 166.57 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -161.41 174.62 37.98 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.51 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.17 -30.02 39.71 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.557 2.171 . . . . 0.0 112.313 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.3 p -145.0 178.93 7.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 98.3 p -70.79 -48.36 54.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.402 -1.221 . . . . 0.0 112.447 -179.998 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 120.815 0.341 . . . . 0.0 111.074 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.579 HD22 ' HB3' ' A' ' 17' ' ' LEU . 18.3 mt -58.71 -40.11 82.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.051 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 60.5 p -58.46 -38.6 77.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.974 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.59 -33.0 62.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.9 mt -74.71 -49.08 22.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.919 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 119.14 37.06 0.83 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.468 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.579 ' HB3' HD22 ' A' ' 12' ' ' LEU . 13.0 tp -137.58 159.63 41.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.786 0.327 . . . . 0.0 110.933 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.2 mtm180 -129.81 174.47 9.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.441 HD22 ' O ' ' A' ' 34' ' ' ARG . 96.2 mt -76.64 152.42 35.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.72 -38.52 3.09 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.517 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -66.8 160.86 25.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.792 0.329 . . . . 0.0 110.857 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -99.45 157.74 16.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.2 m -136.12 164.57 31.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.482 HD12 HG22 ' A' ' 30' ' ' THR . 7.9 tp -96.98 114.43 26.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.811 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 80.9 mt -87.07 116.42 25.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 60.79 27.45 17.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.98 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.4 ' HA2' HD23 ' A' ' 24' ' ' LEU . . . 57.44 30.91 62.35 Favored Glycine 0 C--N 1.331 0.263 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.485 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -146.57 -69.68 0.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.83 0.348 . . . . 0.0 110.861 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.2 163.96 21.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.482 HG22 HD12 ' A' ' 24' ' ' LEU . 62.9 p -133.57 137.34 45.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.893 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -145.57 169.38 27.12 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.507 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.5 m -104.51 131.79 51.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.808 0.337 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.468 HD21 HD11 ' A' ' 12' ' ' LEU . 8.5 tp -71.73 140.55 49.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.441 ' O ' HD22 ' A' ' 19' ' ' LEU . 0.7 OUTLIER -139.77 -47.96 0.46 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.838 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -110.79 150.47 29.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.835 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 30.4 p -158.74 121.18 3.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 144.25 -140.68 9.54 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 29.4 p -87.9 -177.2 5.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.817 0.341 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -134.83 170.45 15.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -107.0 -45.55 4.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.926 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -72.48 -26.82 61.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.989 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -126.27 -168.7 1.9 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.972 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 38.6 p -129.72 176.42 8.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 81.53 -148.59 27.93 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.528 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -115.46 127.39 55.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.831 0.348 . . . . 0.0 110.923 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 57.7 m95 -134.59 175.28 9.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.525 HG22 ' O ' ' A' ' 78' ' ' ALA . 29.6 m -152.44 141.63 14.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.18 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -94.74 122.15 7.06 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.458 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.411 HG22 HD12 ' A' ' 33' ' ' LEU . 21.4 t -125.19 135.65 63.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.792 0.33 . . . . 0.0 111.222 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -95.72 126.76 41.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.657 HD12 ' HA2' ' A' ' 56' ' ' GLY . 79.5 mt -71.87 124.11 24.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.946 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -65.25 -58.1 6.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.0 164.78 9.57 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.98 72.4 1.55 Allowed 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.53 2.153 . . . . 0.0 112.278 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -154.06 169.67 22.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.657 ' HA2' HD12 ' A' ' 51' ' ' LEU . . . 149.6 -169.94 29.8 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.565 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.3 ttmm -139.59 -58.88 0.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.772 0.32 . . . . 0.0 110.936 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -101.54 158.37 16.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.942 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.06 39.57 1.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 61.6 28.33 69.58 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.465 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -144.48 119.59 10.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.776 0.322 . . . . 0.0 110.918 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.5 t -124.67 110.76 25.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.104 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 59.49 -118.78 15.48 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.509 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -100.77 26.19 25.55 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.531 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 30.3 t -128.57 133.01 67.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.886 0.374 . . . . 0.0 111.055 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -115.74 135.43 54.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -113.36 -38.32 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 24.0 p90 -177.13 150.71 0.76 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.5 mp -98.79 99.11 8.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.108 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 30.8 p -113.54 160.32 32.14 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.17 178.4 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.636 2.224 . . . . 0.0 112.329 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.26 105.9 0.13 Allowed 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.652 2.235 . . . . 0.0 112.337 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? 59.44 85.96 0.1 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.981 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -152.08 27.31 0.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -139.73 133.97 6.37 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.51 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.3 tt -140.05 133.06 29.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.815 0.34 . . . . 0.0 110.944 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -103.4 136.73 42.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.525 ' O ' HG22 ' A' ' 47' ' ' VAL . . . -154.63 166.02 34.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.058 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -78.48 146.9 34.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.922 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.449 ' HA ' HD12 ' A' ' 83' ' ' ILE . 17.9 m -58.28 -30.56 40.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.133 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.2 t -63.62 -28.99 70.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -98.09 30.68 2.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.973 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.449 HD12 ' HA ' ' A' ' 80' ' ' VAL . 37.9 mt -139.92 152.64 22.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.049 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.2 m -129.32 156.97 43.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.951 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -80.46 111.85 17.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.903 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.077 -179.966 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.46 ' SD ' HG21 ' A' ' 80' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.858 0.361 . . . . 0.0 110.891 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.577 HD22 ' O ' ' A' ' 17' ' ' LEU . 14.9 mt -59.79 -31.43 69.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.3 p -68.16 -37.53 81.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.937 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.68 -33.68 74.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.411 HD11 HG11 ' A' ' 80' ' ' VAL . 29.3 mt -87.94 -34.27 18.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.14 41.69 17.24 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.509 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.577 ' O ' HD22 ' A' ' 12' ' ' LEU . 6.8 tp -124.99 155.21 40.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.782 0.325 . . . . 0.0 110.902 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.3 mtt-85 -114.05 150.12 34.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 19.3 mt -60.27 148.84 35.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.36 -36.57 4.32 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.452 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -69.46 152.01 45.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.838 0.351 . . . . 0.0 110.885 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.1 mpp_? -79.94 162.54 24.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.3 m -147.42 148.31 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.16 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 24' ' ' LEU . 7.9 tp -84.81 119.27 25.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.626 HD21 HG11 ' A' ' 49' ' ' VAL . 17.2 mt -102.54 126.37 49.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.2 t0 59.26 22.68 11.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.1 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 54.03 52.93 40.06 Favored Glycine 0 CA--C 1.518 0.277 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.689 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -176.75 -47.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.78 0.324 . . . . 0.0 110.96 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -82.27 160.2 22.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 47.4 p -128.23 123.95 35.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.89 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -135.41 179.07 18.1 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.51 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.9 m -115.61 144.63 43.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.822 0.344 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.536 HD21 ' SG ' ' A' ' 36' ' ' CYS . 12.3 tp -80.03 120.52 24.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.423 ' HD3' ' CG ' ' A' ' 68' ' ' PHE . 4.6 mtp180 -118.45 -45.28 2.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.02 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -128.34 146.18 50.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.536 ' SG ' HD21 ' A' ' 33' ' ' LEU . 62.3 m -151.21 123.04 8.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.969 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 158.02 -134.22 3.8 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.516 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.0 p -117.66 -175.86 2.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.865 0.364 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 16.9 p -119.68 178.83 4.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.948 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -113.11 -36.31 5.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.475 ' CZ ' HG11 ' A' ' 62' ' ' VAL . 26.3 p90 -72.24 -30.33 64.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -134.79 173.38 11.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.078 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 83.1 p -112.4 138.77 48.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.959 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 141.7 -166.18 26.28 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.478 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -112.73 121.35 44.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.824 0.345 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 37.0 m95 -131.68 164.85 25.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.607 HG22 ' O ' ' A' ' 78' ' ' ALA . 11.7 m -148.36 131.59 7.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.164 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -86.93 122.35 6.11 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.452 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.626 HG11 HD21 ' A' ' 25' ' ' LEU . 29.2 t -127.4 130.68 70.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.797 0.332 . . . . 0.0 111.12 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -88.31 121.05 30.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 16.4 mt -71.59 139.13 49.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.92 -67.73 0.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.97 164.07 61.75 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.836 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -66.94 80.22 0.36 Allowed 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.52 2.147 . . . . 0.0 112.289 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -144.58 161.94 37.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 127.55 -154.5 19.64 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.545 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.73 -46.88 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.804 0.335 . . . . 0.0 110.893 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 75.4 m-80 -90.58 150.87 21.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.948 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -98.75 35.78 1.79 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 84.44 28.57 32.61 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.544 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.03 158.11 43.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.794 0.33 . . . . 0.0 110.87 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.475 HG11 ' CZ ' ' A' ' 41' ' ' PHE . 21.5 t -144.85 101.66 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.174 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 65.44 -102.7 0.7 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.478 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -117.99 28.82 6.8 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.505 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.5 t -135.75 116.61 18.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.765 0.317 . . . . 0.0 111.098 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -101.36 140.63 35.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.411 ' CD1' ' N ' ' A' ' 67' ' ' TYR . 4.9 m-85 -118.05 -40.79 2.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.423 ' CG ' ' HD3' ' A' ' 34' ' ' ARG . 25.8 p90 -158.12 -178.74 7.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.947 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.9 mp -131.43 118.4 39.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.055 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 31.8 p -131.03 160.54 66.39 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.946 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_exo -52.0 177.89 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.491 2.127 . . . . 0.0 112.356 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.36 107.18 0.17 Allowed 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.534 2.156 . . . . 0.0 112.353 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.6 mtmt 59.74 86.48 0.09 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.005 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -158.08 29.97 0.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -144.94 140.93 9.5 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.431 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.0 tp -148.41 129.67 14.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.811 0.339 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -101.15 116.04 31.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.607 ' O ' HG22 ' A' ' 47' ' ' VAL . . . -132.17 177.21 7.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.188 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.73 148.55 27.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.46 HG21 ' SD ' ' A' ' 11' ' ' MET . 17.0 m -60.22 -28.95 42.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.234 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.1 t -64.02 -29.23 70.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.947 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 16.5 mttm -97.84 28.84 3.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.046 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.493 HD12 HG21 ' A' ' 47' ' ' VAL . 24.6 mt -148.94 146.16 17.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.102 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -134.77 175.51 9.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.51 132.39 41.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.11 -179.912 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.504 ' HB3' HG11 ' A' ' 80' ' ' VAL . 6.2 mtm . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.751 0.31 . . . . 0.0 110.855 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.519 HD21 ' CD2' ' A' ' 33' ' ' LEU . 32.9 mt -61.07 -37.66 83.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 78.9 p -61.75 -41.15 97.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.939 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.54 -39.41 52.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.051 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 31.1 mt -68.23 -55.45 12.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 109.65 34.32 2.47 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.486 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 tp -139.67 162.62 34.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.826 0.346 . . . . 0.0 110.942 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.74 164.14 13.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.821 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.485 HD22 ' O ' ' A' ' 34' ' ' ARG . 16.3 mt -65.91 151.65 46.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.26 -37.5 3.43 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.537 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.33 151.28 28.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.871 0.367 . . . . 0.0 110.802 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.2 mtm-85 -86.91 153.37 21.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 13.3 m -137.45 174.44 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.047 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.518 HD23 ' HA2' ' A' ' 27' ' ' GLY . 12.0 tp -112.94 110.01 19.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.585 HD12 HD23 ' A' ' 51' ' ' LEU . 35.3 mt -83.07 128.85 34.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 60.0 26.47 15.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.015 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.518 ' HA2' HD23 ' A' ' 24' ' ' LEU . . . 55.95 31.28 58.39 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.556 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -153.94 -67.27 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.831 0.348 . . . . 0.0 110.96 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.01 159.48 9.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.945 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -119.72 133.38 55.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.848 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -145.45 157.57 27.39 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.559 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.3 m -107.8 128.93 55.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.893 0.378 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.55 HD11 ' HB ' ' A' ' 47' ' ' VAL . 19.4 tp -72.87 143.87 47.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.485 ' O ' HD22 ' A' ' 19' ' ' LEU . 10.3 mtp180 -136.46 -48.05 0.64 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.44 ' CD1' ' N ' ' A' ' 36' ' ' CYS . 61.8 t80 -121.88 161.04 23.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.952 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.44 ' N ' ' CD1' ' A' ' 35' ' ' PHE . 29.8 p -154.42 132.71 11.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.978 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 142.44 -158.12 26.83 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.476 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.0 p -89.23 158.46 17.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.838 0.352 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 73.2 p -113.17 174.51 5.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.822 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -83.19 -49.21 9.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.95 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 17.3 p90 -62.95 -31.59 72.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -136.98 139.15 41.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.073 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 37.2 m -104.48 105.24 15.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 170.63 -146.78 10.0 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.523 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.04 114.43 25.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.866 0.365 . . . . 0.0 110.856 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 87.0 m95 -144.01 142.5 30.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.55 ' HB ' HD11 ' A' ' 33' ' ' LEU . 16.0 m -139.56 128.98 29.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.173 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -77.87 128.3 8.76 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.439 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 18.9 t -137.78 134.21 45.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.884 0.374 . . . . 0.0 111.149 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -93.21 116.67 29.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.585 HD23 HD12 ' A' ' 25' ' ' LEU . 19.1 mt -65.3 140.71 58.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.35 -44.17 65.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.75 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -68.07 159.76 78.18 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.811 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.88 61.4 2.34 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.599 2.199 . . . . 0.0 112.349 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -142.55 148.88 38.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.811 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 171.76 -168.88 42.01 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.637 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.9 mttp -149.09 -45.9 0.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.771 0.319 . . . . 0.0 110.935 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 62.2 m-20 -98.41 147.32 24.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.963 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -103.03 30.56 4.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 97.06 -29.88 9.95 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.516 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 21.5 m -109.04 126.61 53.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.806 0.336 . . . . 0.0 110.964 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.7 t -134.8 125.25 45.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.069 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 59.0 25.86 60.15 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.557 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.02 -33.08 5.81 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.545 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.5 t -70.78 127.42 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.851 0.358 . . . . 0.0 111.172 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -93.32 146.5 23.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -131.69 -46.48 0.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.415 ' CG ' ' HD3' ' A' ' 34' ' ' ARG . 11.7 p90 -161.88 -177.55 5.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.7 mp -129.57 108.38 16.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 30.5 p -128.83 160.3 63.93 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.3 168.99 0.34 Allowed 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.554 2.169 . . . . 0.0 112.242 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.18 117.66 3.82 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.584 2.19 . . . . 0.0 112.305 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.6 mtpt 60.23 105.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.835 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -177.86 -38.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.97 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -69.97 116.97 7.13 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.458 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.443 HD13 HD11 ' A' ' 51' ' ' LEU . 9.5 tt -133.07 127.05 33.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.817 0.341 . . . . 0.0 110.924 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -95.67 128.57 42.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.903 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -138.97 151.51 46.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.044 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 58.6 m -67.52 145.8 54.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.504 HG11 ' HB3' ' A' ' 11' ' ' MET . 22.2 m -57.71 -29.31 34.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.209 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.1 m -59.55 -30.39 68.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.998 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 6.8 mttp -103.0 36.79 2.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.948 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 37.0 mt -147.36 137.71 17.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.108 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.71 135.4 52.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.85 128.34 36.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.162 179.937 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 5.6 mmt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.826 0.346 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.848 HD21 HD21 ' A' ' 33' ' ' LEU . 49.5 mt -58.8 -45.32 90.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.942 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.5 t -63.65 -47.16 82.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.68 -33.4 72.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.17 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.472 HD11 HG11 ' A' ' 80' ' ' VAL . 22.3 mt -77.01 -42.06 40.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.95 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.04 43.34 2.24 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.471 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.637 HD23 HD22 ' A' ' 33' ' ' LEU . 8.0 tp -137.45 156.49 48.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.897 0.379 . . . . 0.0 110.925 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -119.96 156.9 29.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.756 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.575 HD22 ' O ' ' A' ' 34' ' ' ARG . 44.9 mt -77.91 130.19 36.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 115.54 -32.0 5.91 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.527 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -72.1 153.75 41.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.84 0.353 . . . . 0.0 110.931 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.58 173.42 2.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.5 m -153.98 142.5 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.164 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.414 HD21 ' HA2' ' A' ' 27' ' ' GLY . 35.1 tp -91.55 114.93 27.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.839 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.551 HD23 HG23 ' A' ' 83' ' ' ILE . 14.8 mt -104.6 117.4 34.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.984 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 58.49 26.45 14.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.15 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.414 ' HA2' HD21 ' A' ' 24' ' ' LEU . . . 55.45 24.33 38.02 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.63 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -146.26 -59.55 0.31 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.838 0.352 . . . . 0.0 110.848 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.73 123.69 23.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -103.06 118.75 37.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -129.07 -169.62 12.61 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.529 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -130.86 126.09 35.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.801 0.334 . . . . 0.0 110.91 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.848 HD21 HD21 ' A' ' 12' ' ' LEU . 28.3 tp -62.36 138.87 58.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.575 ' O ' HD22 ' A' ' 19' ' ' LEU . 1.6 mmp_? -132.46 -46.6 0.9 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -129.97 159.4 36.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.714 ' HA ' HG12 ' A' ' 47' ' ' VAL . 52.4 t -156.62 145.97 20.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 125.36 -135.53 9.34 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.496 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -100.18 173.2 6.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.843 0.354 . . . . 0.0 110.861 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -132.3 -178.17 4.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -109.0 -33.86 6.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 14.7 p90 -85.43 -29.64 24.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.022 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -123.05 119.79 31.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.062 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.76 108.3 10.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 150.59 -161.46 28.99 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.543 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -96.29 127.21 42.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.875 0.369 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 68.5 m95 -145.57 161.89 38.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.968 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.714 HG12 ' HA ' ' A' ' 36' ' ' CYS . 3.8 m -141.62 130.09 22.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.095 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -77.77 121.49 5.79 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.41 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.5 t -128.94 146.25 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.852 0.358 . . . . 0.0 111.11 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -103.45 132.4 49.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.869 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.518 HD12 ' O ' ' A' ' 55' ' ' GLU . 82.9 mt -79.71 114.71 18.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.948 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -60.29 -36.64 78.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -75.41 160.37 79.87 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.47 63.53 1.63 Allowed 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.557 2.171 . . . . 0.0 112.287 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.518 ' O ' HD12 ' A' ' 51' ' ' LEU . 45.1 mt-10 -150.87 135.17 16.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.889 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 178.55 166.27 34.47 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.516 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.6 mttm -124.08 -55.25 1.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.849 0.357 . . . . 0.0 110.912 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -86.94 148.56 25.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.944 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -100.47 29.41 4.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 95.05 -38.31 3.16 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.547 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.6 p -95.57 133.01 40.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.784 0.326 . . . . 0.0 110.934 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.7 t -149.46 132.66 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.105 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 59.75 23.56 58.91 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.602 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 95.83 -31.17 7.49 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.604 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.8 t -78.84 151.74 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.807 0.337 . . . . 0.0 111.101 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -124.72 134.3 52.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -112.28 -37.87 4.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -163.83 178.63 7.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.912 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 19.4 mt -126.97 114.61 38.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 30.6 p -127.1 160.31 60.29 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.04 178.18 0.04 OUTLIER 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.695 2.263 . . . . 0.0 112.295 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.29 103.26 0.08 OUTLIER 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.652 2.235 . . . . 0.0 112.323 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.96 81.2 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -152.66 29.2 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.956 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -133.95 143.37 15.03 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.1 tp -153.51 139.64 18.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.824 0.345 . . . . 0.0 110.966 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -106.38 135.03 48.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.839 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.524 ' HB3' HD11 ' A' ' 83' ' ' ILE . . . -140.92 176.46 8.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.93 155.03 19.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.472 HG11 HD11 ' A' ' 15' ' ' LEU . 7.1 m -58.46 -31.44 43.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.257 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.2 -29.21 69.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -97.32 25.9 5.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.055 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.585 HD12 ' CG2' ' A' ' 47' ' ' VAL . 30.7 mt -149.79 155.67 7.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.117 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.442 ' N ' HG22 ' A' ' 83' ' ' ILE . 0.1 OUTLIER -150.25 174.48 12.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.77 118.02 14.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.978 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.778 0.323 . . . . 0.0 110.916 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.0 mt -59.77 -46.88 87.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.944 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 53.7 p -65.48 -31.82 73.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.04 -52.94 29.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.064 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 56.2 mt -74.88 -43.47 54.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 97.93 33.63 5.72 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.551 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.5 tp -109.78 144.19 38.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.797 0.332 . . . . 0.0 110.863 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.04 163.11 12.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.906 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 35.7 mt -85.93 111.19 20.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 132.24 -28.28 3.49 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.558 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -69.95 163.75 25.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.789 0.328 . . . . 0.0 110.93 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.4 161.93 17.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.3 m -145.5 169.0 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.878 ' HB2' ' HB2' ' A' ' 86' ' ' ALA . 8.4 tp -108.85 123.5 49.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.969 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.594 HD12 HD23 ' A' ' 51' ' ' LEU . 42.2 mt -98.86 126.19 44.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.829 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 62.19 26.86 16.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 56.95 27.3 56.66 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.639 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -151.17 -70.2 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.784 0.326 . . . . 0.0 110.851 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.92 153.82 20.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -114.72 145.56 41.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -155.85 159.52 29.35 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.461 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 m -100.58 134.43 43.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.759 0.314 . . . . 0.0 110.941 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.8 tp -72.15 141.71 49.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -130.04 -46.0 1.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -138.07 150.58 47.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.68 ' HA ' HG12 ' A' ' 47' ' ' VAL . 52.5 t -147.11 140.87 25.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 134.2 -131.44 5.96 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.561 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.3 p -110.9 136.13 50.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.824 0.345 . . . . 0.0 110.911 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.421 HG21 ' CE1' ' A' ' 41' ' ' PHE . 2.0 p -96.67 -179.89 4.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.821 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -100.12 -44.53 5.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.421 ' CE1' HG21 ' A' ' 39' ' ' THR . 52.0 p90 -62.0 -31.44 71.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -135.51 152.22 51.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.142 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.64 122.56 46.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.946 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 138.91 -161.46 25.88 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.526 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -77.63 116.73 18.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.839 0.352 . . . . 0.0 110.947 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 92.3 m95 -142.76 146.49 34.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.68 HG12 ' HA ' ' A' ' 36' ' ' CYS . 4.8 m -143.51 136.99 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -87.8 115.67 4.4 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.489 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 25.8 t -120.69 146.29 25.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.833 0.349 . . . . 0.0 111.093 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -104.58 109.87 21.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.594 HD23 HD12 ' A' ' 25' ' ' LEU . 38.1 mt -60.01 133.32 55.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -59.48 -53.26 60.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.88 153.6 93.82 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.4 63.54 1.59 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.506 2.137 . . . . 0.0 112.264 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -147.34 149.61 33.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 167.39 -143.23 8.09 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.588 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.439 ' HE3' HD12 ' A' ' 76' ' ' LEU . 0.3 OUTLIER -160.67 -46.31 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.717 0.294 . . . . 0.0 110.903 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -92.56 136.76 32.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.4 p-10 -99.5 31.34 3.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 80.12 28.4 49.59 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.493 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -155.98 125.31 6.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.824 0.345 . . . . 0.0 110.922 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.4 t -135.3 114.09 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.153 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 59.65 31.15 70.37 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.515 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.58 -29.04 10.98 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.468 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.5 t -74.37 113.54 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.833 0.349 . . . . 0.0 111.166 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.6 ttm-85 -88.66 127.7 35.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -102.48 -31.4 10.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.914 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -174.43 178.92 1.89 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 28.9 mt -115.33 102.35 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.171 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 28.9 p -124.15 154.82 68.47 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_endo -61.75 176.47 1.3 Allowed 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.526 2.151 . . . . 0.0 112.2 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -50.75 112.27 0.73 Allowed 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.536 2.157 . . . . 0.0 112.434 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt 60.55 110.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.07 -40.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.34 131.4 35.41 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.557 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.531 HD22 HD11 ' A' ' 51' ' ' LEU . 17.1 tp -135.99 131.26 34.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.887 0.375 . . . . 0.0 110.849 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -110.75 124.27 51.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.478 ' HB3' HD11 ' A' ' 83' ' ' ILE . . . -146.49 172.24 13.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.161 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.4 m -81.3 143.64 32.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.8 m -59.02 -29.2 40.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.176 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.5 m -58.66 -30.42 67.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.9 mttm -103.79 31.04 4.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.855 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.478 HD11 ' HB3' ' A' ' 78' ' ' ALA . 31.2 mt -148.01 140.03 18.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.111 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 63.8 p -118.57 179.08 4.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.1 ptmt -100.6 77.27 1.89 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.878 ' HB2' ' HB2' ' A' ' 24' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.195 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.734 0.302 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.7 mt -58.91 -53.31 59.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 81.4 p -60.56 -33.66 73.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.26 -53.49 24.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.065 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 18.4 mt -64.57 -51.26 63.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.941 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.09 43.72 0.77 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.502 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.45 HD23 HD22 ' A' ' 33' ' ' LEU . 11.7 tp -139.97 162.98 33.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.803 0.335 . . . . 0.0 110.873 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.7 mtt180 -125.14 160.57 28.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.002 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.689 HD22 ' O ' ' A' ' 34' ' ' ARG . 93.8 mt -65.11 135.59 55.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.78 19.7 36.39 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.696 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -108.62 158.59 17.45 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.876 0.37 . . . . 0.0 110.781 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.07 148.43 26.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 31.2 m -137.85 159.35 33.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.114 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.8 tp -101.68 117.97 35.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.427 HD21 HG11 ' A' ' 49' ' ' VAL . 88.9 mt -96.66 111.79 23.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.91 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.7 t70 59.51 28.8 18.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.002 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 57.42 50.86 61.46 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.572 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.3 -73.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.763 0.316 . . . . 0.0 110.868 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.42 158.89 30.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.96 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -130.67 126.43 36.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.434 ' HA3' HG12 ' A' ' 49' ' ' VAL . . . -131.1 172.14 20.78 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.541 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.1 m -107.77 114.59 28.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.787 0.327 . . . . 0.0 110.832 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.45 HD22 HD23 ' A' ' 17' ' ' LEU . 9.2 tp -62.59 107.77 1.01 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.89 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.689 ' O ' HD22 ' A' ' 19' ' ' LEU . 1.6 mmp_? -96.46 -31.78 12.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -137.64 162.72 33.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.573 ' HA ' HG12 ' A' ' 47' ' ' VAL . 9.1 t -158.59 129.35 6.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.96 -132.21 5.28 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.472 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 30.4 p -104.48 172.86 6.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.842 0.353 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.721 HG21 ' CZ ' ' A' ' 41' ' ' PHE . 1.0 OUTLIER -135.17 170.83 15.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.854 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.96 -46.12 8.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.833 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.721 ' CZ ' HG21 ' A' ' 39' ' ' THR . 22.6 p90 -60.24 -31.54 70.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.927 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.93 110.52 6.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.047 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.13 95.52 2.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 178.88 -152.68 11.49 Favored Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -89.7 109.98 20.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.789 0.328 . . . . 0.0 110.903 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 92.1 m95 -141.75 153.2 44.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.573 HG12 ' HA ' ' A' ' 36' ' ' CYS . 31.0 m -144.17 139.86 24.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.152 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -83.07 116.84 4.28 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.481 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.434 HG12 ' HA3' ' A' ' 31' ' ' GLY . 21.5 t -122.15 126.01 73.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.8 0.333 . . . . 0.0 111.13 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -92.91 113.88 26.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 mt -63.16 127.74 32.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.57 -35.16 79.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -72.66 155.01 91.3 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.31 62.89 2.73 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.549 2.166 . . . . 0.0 112.302 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -159.78 150.0 18.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 177.34 -174.34 46.9 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -140.33 35.85 1.88 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.856 0.36 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -175.91 141.13 0.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -98.73 32.85 2.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.818 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 78.82 27.51 56.53 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.497 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 42.4 t -159.99 147.04 16.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.777 0.322 . . . . 0.0 110.944 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.4 t -133.87 106.91 9.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.098 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 62.18 -101.85 0.41 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.515 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -116.7 28.49 7.39 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.478 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.6 t -136.02 139.06 46.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.849 0.357 . . . . 0.0 111.054 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.3 ttm-85 -120.32 136.19 54.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.43 ' N ' ' CD1' ' A' ' 67' ' ' TYR . 3.6 m-85 -111.71 -34.19 6.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.427 ' CD2' ' HD3' ' A' ' 34' ' ' ARG . 24.2 p90 -168.81 -179.13 3.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.952 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 1.6 pt -118.04 129.87 73.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.087 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 30.3 p -156.56 161.8 28.8 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -56.05 169.35 1.47 Allowed 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.647 2.232 . . . . 0.0 112.136 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -63.76 123.09 11.41 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.538 2.159 . . . . 0.0 112.195 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.3 mttp 62.34 89.37 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -165.86 -43.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -78.99 144.52 27.54 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.486 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.537 HD23 ' N ' ' A' ' 77' ' ' PHE . 0.9 OUTLIER -153.32 146.76 24.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.802 0.334 . . . . 0.0 110.948 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.537 ' N ' HD23 ' A' ' 76' ' ' LEU . 16.6 m-85 -109.33 146.76 33.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -155.98 176.16 13.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.095 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.7 m -88.15 143.43 27.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 15.5 m -57.67 -29.18 33.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.247 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.2 m -59.79 -30.67 69.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.972 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.4 mtpt -103.04 30.15 5.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.984 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.422 HG22 ' N ' ' A' ' 84' ' ' SER . 41.8 mt -141.77 154.4 19.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.074 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.422 ' N ' HG22 ' A' ' 83' ' ' ILE . 0.3 OUTLIER -129.96 180.0 5.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.936 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 11.1 tttm -97.28 38.91 1.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.837 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.0 mmt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.778 0.323 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.921 HD21 HD21 ' A' ' 33' ' ' LEU . 25.9 mt -62.72 -53.52 53.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.4 m -60.79 -32.48 71.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.99 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.35 -36.23 83.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.158 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.5 mt -84.05 -53.4 5.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.945 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 125.42 41.55 0.35 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.506 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.0 tp -146.2 158.32 43.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.783 0.325 . . . . 0.0 110.866 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -118.59 168.63 10.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.664 HD22 ' O ' ' A' ' 34' ' ' ARG . 55.7 mt -73.53 152.25 40.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.985 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.35 -42.38 2.08 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.433 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.59 175.37 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.826 0.346 . . . . 0.0 110.87 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -107.18 161.45 14.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.8 m -132.9 162.68 39.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.115 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.3 tp -107.4 120.5 42.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.929 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.535 HD11 HG11 ' A' ' 49' ' ' VAL . 64.3 mt -96.07 118.38 32.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.9 t0 61.09 28.32 18.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 57.31 39.04 89.67 Favored Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.529 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -155.99 -72.69 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.831 0.348 . . . . 0.0 110.985 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.19 150.64 29.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -121.6 129.66 52.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -132.13 166.47 23.23 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.487 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.7 m -110.65 111.09 22.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 0.0 110.928 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.921 HD21 HD21 ' A' ' 12' ' ' LEU . 59.9 tp -60.18 147.29 40.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.664 ' O ' HD22 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -145.77 -47.48 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -119.91 150.7 40.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.483 ' SG ' HG12 ' A' ' 47' ' ' VAL . 48.4 t -153.57 150.12 28.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 115.37 -157.98 14.66 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.8 -0.715 . . . . 0.0 112.518 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.1 p -80.88 173.06 12.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.872 0.368 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 17.4 p -134.25 169.21 17.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -74.9 -44.41 48.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.933 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.419 ' CD1' ' N ' ' A' ' 42' ' ' ALA . 40.4 p90 -63.37 -38.61 91.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.815 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.419 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . -144.77 144.18 31.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.106 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.85 98.05 7.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -166.18 -124.41 0.71 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.487 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -119.82 112.79 19.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.863 0.363 . . . . 0.0 110.857 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 72.5 m95 -143.59 146.92 33.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.483 HG12 ' SG ' ' A' ' 36' ' ' CYS . 29.5 m -145.6 135.2 17.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.183 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -75.36 123.22 7.12 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.546 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.535 HG11 HD11 ' A' ' 25' ' ' LEU . 26.2 t -122.89 127.12 74.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.853 0.359 . . . . 0.0 111.091 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -104.86 105.32 15.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 57.0 mt -59.98 127.55 32.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -65.34 -39.5 92.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.91 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.47 160.42 79.61 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.855 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.97 62.71 2.47 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.605 2.204 . . . . 0.0 112.244 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -143.23 154.21 43.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 160.14 -134.69 3.75 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.472 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -176.42 -40.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.79 0.329 . . . . 0.0 110.921 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -110.08 157.67 19.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.65 27.75 4.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.028 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 95.84 -27.88 14.61 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.51 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.1 t -107.15 142.58 36.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.854 0.359 . . . . 0.0 110.932 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.6 t -137.05 123.58 28.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 65.28 -119.74 15.47 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.455 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -110.02 28.3 10.67 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.541 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.6 t -147.13 139.88 19.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.79 0.328 . . . . 0.0 111.08 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -120.21 143.7 48.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.948 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -107.33 -31.12 8.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 30.6 p90 -173.23 -178.16 1.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 10.3 pt -115.44 140.2 38.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.18 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 31.5 p -155.92 153.03 25.02 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.974 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -52.6 176.28 0.07 OUTLIER 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.659 2.239 . . . . 0.0 112.314 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.24 110.06 0.41 Allowed 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.634 2.222 . . . . 0.0 112.233 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.3 mttt 60.86 111.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -177.1 -39.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.957 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -59.43 124.63 37.04 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.498 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.9 tp -138.26 114.85 10.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.786 0.327 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -99.13 140.37 33.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.913 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.542 ' HB3' HD11 ' A' ' 83' ' ' ILE . . . -157.57 -179.98 8.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.17 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.73 147.49 25.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 31.1 m -57.69 -34.09 46.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.226 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 59.8 m -64.35 -28.14 69.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.082 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -97.76 28.97 3.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.084 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.542 HD11 ' HB3' ' A' ' 78' ' ' ALA . 30.6 mt -150.59 153.22 10.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.884 0.373 . . . . 0.0 111.152 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 17.1 m -113.32 171.3 7.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.83 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.7 pttt -99.99 47.61 0.94 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.969 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.123 179.942 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 3.1 mpp? . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.857 0.361 . . . . 0.0 110.95 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.573 HD21 HD21 ' A' ' 33' ' ' LEU . 21.5 mt -59.19 -29.8 67.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.957 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.13 -31.39 34.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.956 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.63 -32.16 70.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.183 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.5 mt -94.35 -58.95 2.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 123.89 40.38 0.45 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.54 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.424 HD21 ' CG1' ' A' ' 23' ' ' VAL . 26.2 tp -128.64 161.96 28.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.838 0.352 . . . . 0.0 110.961 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.1 ttt85 -127.45 161.05 29.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.565 HD22 ' O ' ' A' ' 34' ' ' ARG . 4.8 mt -76.84 151.01 36.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.841 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.63 -29.8 9.84 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.432 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.06 168.95 18.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.792 0.33 . . . . 0.0 110.886 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -93.42 149.81 20.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.51 ' C ' ' HB2' ' A' ' 86' ' ' ALA . 10.5 m -130.74 168.84 22.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.055 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 24' ' ' LEU . 5.8 tp -115.08 104.97 12.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.83 HD21 HG11 ' A' ' 49' ' ' VAL . 32.1 mt -81.86 125.62 30.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.945 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 60.08 26.54 15.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.033 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 55.47 43.43 85.32 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.716 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -166.65 -67.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.796 0.331 . . . . 0.0 110.927 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.94 134.82 57.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.15 123.43 43.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -133.45 177.28 19.12 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.536 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 60.1 m -125.29 125.03 42.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.815 0.34 . . . . 0.0 110.913 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.573 HD21 HD21 ' A' ' 12' ' ' LEU . 35.8 tp -67.22 140.11 57.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.565 ' O ' HD22 ' A' ' 19' ' ' LEU . 3.0 mtp85 -131.56 -52.88 1.01 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.965 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.432 ' CD2' ' N ' ' A' ' 36' ' ' CYS . 54.8 t80 -109.39 163.32 13.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.491 ' SG ' HD21 ' A' ' 19' ' ' LEU . 23.2 p -155.36 116.49 3.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.19 -148.85 20.43 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.475 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 47.5 p -85.24 -178.27 6.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.804 0.335 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.4 p -129.66 177.4 7.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -93.55 -43.42 8.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.941 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -70.05 -31.59 69.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -135.24 -179.61 5.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -133.63 138.8 46.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 139.45 -156.5 24.66 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.472 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -92.7 106.34 18.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.808 0.337 . . . . 0.0 110.889 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 77.3 m95 -132.4 154.79 49.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.408 ' HB ' HD11 ' A' ' 33' ' ' LEU . 10.7 m -144.17 137.01 23.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -80.44 123.5 6.09 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.411 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.83 HG11 HD21 ' A' ' 25' ' ' LEU . 21.6 t -129.07 133.29 66.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.867 0.365 . . . . 0.0 111.094 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -105.48 115.44 30.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.652 HD12 ' O ' ' A' ' 74' ' ' GLN . 1.2 mp -73.21 138.47 45.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.947 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -65.09 -48.88 72.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -65.5 151.65 93.96 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -72.02 62.24 3.24 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.544 2.162 . . . . 0.0 112.268 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.442 ' O ' HD13 ' A' ' 51' ' ' LEU . 53.3 mt-10 -155.71 100.53 2.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -129.78 -113.51 1.64 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.499 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -176.63 -47.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.791 0.329 . . . . 0.0 110.867 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.433 ' OD1' HG22 ' A' ' 62' ' ' VAL . 24.7 m-80 -111.56 158.78 18.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -98.42 30.53 3.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.426 ' HA2' ' CE1' ' A' ' 68' ' ' PHE . . . 96.26 -27.77 15.66 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.526 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -109.14 142.88 39.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.866 0.365 . . . . 0.0 110.84 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.433 HG22 ' OD1' ' A' ' 58' ' ' ASN . 21.4 t -142.07 117.25 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.16 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 64.02 27.09 70.85 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.569 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 99.4 -28.02 17.39 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.549 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.5 t -79.85 118.87 28.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.81 0.338 . . . . 0.0 111.102 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 35.9 ttp180 -94.29 117.47 30.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -92.72 -30.91 15.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.907 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.44 ' CG ' ' HD3' ' A' ' 34' ' ' ARG . 15.5 p90 -174.18 179.87 1.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.965 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.9 mp -121.78 124.19 70.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.081 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.4 ' HB2' ' HD2' ' A' ' 71' ' ' PRO . 31.5 p -152.25 160.98 30.59 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.944 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.4 ' HD2' ' HB2' ' A' ' 70' ' ' CYS . 76.2 Cg_exo -49.81 167.45 0.2 Allowed 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.541 2.161 . . . . 0.0 112.255 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -58.22 122.55 11.87 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.606 2.204 . . . . 0.0 112.235 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.58 91.97 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.84 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.652 ' O ' HD12 ' A' ' 51' ' ' LEU . 5.9 tt0 -162.67 -44.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.975 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -72.31 130.25 15.65 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.499 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.2 tp -135.69 120.97 19.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.804 0.335 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -99.85 117.28 33.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -138.46 170.85 15.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.079 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.8 m -80.86 150.46 29.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 23.0 m -59.8 -26.04 34.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.241 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 84.4 p -56.18 -31.47 63.45 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.008 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -107.17 30.61 6.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.812 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.551 HG23 HD23 ' A' ' 25' ' ' LEU . 30.4 mt -142.17 145.1 24.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.066 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.1 m -138.27 177.83 7.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.987 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -78.32 134.38 37.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.87 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.51 ' HB2' ' C ' ' A' ' 23' ' ' VAL . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.1 tpt . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.873 0.368 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.3 mt -59.11 -31.26 68.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.959 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.1 m -70.43 -51.4 29.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.41 -32.68 72.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.068 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.0 mt -74.95 -65.05 0.92 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.925 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 128.63 43.01 0.23 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.867 -0.683 . . . . 0.0 112.485 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.697 HD23 HD22 ' A' ' 33' ' ' LEU . 2.4 tp -148.62 154.34 39.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.754 0.312 . . . . 0.0 110.913 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.42 153.22 31.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.71 HD22 ' O ' ' A' ' 34' ' ' ARG . 28.4 mt -59.97 131.33 50.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.72 -24.12 33.19 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.588 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -59.92 152.35 23.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.774 0.321 . . . . 0.0 110.86 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.1 ttm-85 -72.4 145.48 47.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.443 HG22 ' O ' ' A' ' 31' ' ' GLY . 16.0 m -135.77 141.33 42.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.043 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.484 ' HB2' ' HB2' ' A' ' 86' ' ' ALA . 11.9 tp -100.68 117.5 34.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.84 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.562 HD11 HG11 ' A' ' 49' ' ' VAL . 15.6 mt -102.28 135.53 43.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 59.52 24.97 13.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.027 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 55.45 38.45 70.03 Favored Glycine 0 C--N 1.33 0.246 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.673 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -168.32 -59.2 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.791 0.329 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.01 138.95 57.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -105.32 118.99 37.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.443 ' O ' HG22 ' A' ' 23' ' ' VAL . . . -121.85 158.37 16.56 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.552 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -114.6 117.35 30.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.786 0.327 . . . . 0.0 110.965 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.697 HD22 HD23 ' A' ' 17' ' ' LEU . 46.1 tp -60.23 150.92 28.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.71 ' O ' HD22 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -142.67 -56.14 0.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.426 ' CD2' ' CD1' ' A' ' 67' ' ' TYR . 71.7 t80 -125.38 162.16 25.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.957 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.422 ' SG ' HG12 ' A' ' 47' ' ' VAL . 52.5 t -153.51 154.69 34.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.794 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 125.54 -145.45 15.71 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.486 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.6 p -103.31 154.19 19.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.839 0.352 . . . . 0.0 110.834 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 20.1 p -104.42 179.06 4.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -100.46 -46.68 5.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.912 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 26.1 p90 -62.99 -31.66 72.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.808 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -134.4 171.59 14.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.14 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 22.2 t -119.47 140.37 50.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 139.12 -151.09 21.62 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.481 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.82 108.41 16.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.759 0.314 . . . . 0.0 110.873 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 42.5 m95 -120.38 165.08 15.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.429 HG11 ' CG1' ' A' ' 80' ' ' VAL . 29.4 m -151.79 134.89 7.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.15 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -74.97 116.06 4.9 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.481 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.562 HG11 HD11 ' A' ' 25' ' ' LEU . 21.4 t -121.83 120.45 61.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.814 0.34 . . . . 0.0 111.156 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -93.98 115.12 27.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.519 HD12 ' O ' ' A' ' 55' ' ' GLU . 46.1 mt -71.02 128.54 36.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.847 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -60.37 -43.04 96.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.37 163.47 64.18 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.944 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 78.93 0.96 Allowed 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.55 2.167 . . . . 0.0 112.258 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.519 ' O ' HD12 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -159.99 138.84 10.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.831 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 171.92 169.05 34.26 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.505 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.8 ttmm -115.42 -36.01 4.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.813 0.339 . . . . 0.0 111.013 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -106.81 167.84 9.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -117.41 28.88 8.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.946 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.432 ' HA2' ' CE2' ' A' ' 68' ' ' PHE . . . 95.99 -33.22 5.71 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.535 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.5 m -114.58 142.59 46.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.864 0.364 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.416 HG21 ' CE2' ' A' ' 77' ' ' PHE . 21.6 t -135.22 110.88 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.131 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 62.06 -116.47 9.41 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.488 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -108.88 28.41 11.33 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.5 t -133.4 133.12 57.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.874 0.368 . . . . 0.0 111.107 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.41 128.9 56.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.922 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.426 ' CD1' ' CD2' ' A' ' 35' ' ' PHE . 43.1 m-85 -114.88 -38.41 3.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.432 ' CE2' ' HA2' ' A' ' 60' ' ' GLY . 22.8 p90 -166.43 -178.09 4.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 21.4 mt -125.82 125.88 69.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 27.9 p -146.65 147.46 30.35 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.19 172.56 0.19 Allowed 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.495 2.13 . . . . 0.0 112.373 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -52.57 118.85 5.09 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.594 2.196 . . . . 0.0 112.262 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.9 mtmm 60.06 99.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -171.78 -41.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -81.79 128.24 8.36 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.608 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.9 tt -133.36 120.66 21.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.889 0.376 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.416 ' CE2' HG21 ' A' ' 62' ' ' VAL . 90.2 m-85 -82.74 109.95 17.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.956 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.486 ' HB3' HD11 ' A' ' 83' ' ' ILE . . . -122.8 177.59 5.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.099 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 34.9 m -99.87 137.95 37.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.429 ' CG1' HG11 ' A' ' 47' ' ' VAL . 12.9 m -54.94 -29.95 22.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.276 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.7 m -65.45 -28.52 69.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.037 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -103.32 28.48 6.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.2 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.502 HG23 HD23 ' A' ' 25' ' ' LEU . 48.9 mt -139.35 153.83 24.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.045 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.417 ' N ' HG22 ' A' ' 83' ' ' ILE . 72.2 p -131.36 179.96 5.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.896 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -90.61 130.91 36.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.484 ' HB2' ' HB2' ' A' ' 24' ' ' LEU . . . . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.135 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.527 0.089 0 CA-C-O 120.811 0.339 . . . . 0.0 110.815 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.627 HD21 ' CD2' ' A' ' 19' ' ' LEU . 6.0 mt -65.65 -31.18 72.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.9 t -84.97 -32.3 23.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.85 -32.99 71.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.186 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.791 ' CD1' HG11 ' A' ' 80' ' ' VAL . 60.1 mt -86.01 -49.47 7.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.1 38.44 1.14 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.5 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.736 HD23 HD22 ' A' ' 33' ' ' LEU . 7.9 tp -149.39 152.41 35.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.754 0.311 . . . . 0.0 110.896 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.56 ' O ' HD23 ' A' ' 33' ' ' LEU . 5.7 mtt180 -112.43 166.03 11.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.627 ' CD2' HD21 ' A' ' 12' ' ' LEU . 14.2 mt -76.65 143.39 40.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.018 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.73 -28.2 14.56 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.474 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.25 180.0 0.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.843 0.354 . . . . 0.0 110.843 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -98.81 145.33 27.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.411 ' C ' ' HB2' ' A' ' 86' ' ' ALA . 5.7 m -140.58 148.23 22.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.111 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.534 HD23 ' HA2' ' A' ' 27' ' ' GLY . 12.3 tp -104.33 118.41 36.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.657 HD23 HG23 ' A' ' 83' ' ' ILE . 76.4 mt -89.9 123.03 33.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.05 23.15 11.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.534 ' HA2' HD23 ' A' ' 24' ' ' LEU . . . 54.32 52.51 43.92 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.675 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -167.54 -50.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.833 0.349 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.79 133.17 34.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.912 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -95.32 116.91 29.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.867 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -121.25 160.42 15.59 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.52 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -108.19 119.44 39.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.794 0.331 . . . . 0.0 110.885 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.736 HD22 HD23 ' A' ' 17' ' ' LEU . 15.8 tp -60.29 138.63 57.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -128.69 -51.08 1.25 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.822 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -125.22 156.97 37.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.547 ' SG ' HG12 ' A' ' 47' ' ' VAL . 31.0 t -158.8 143.04 15.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.971 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 126.87 -140.56 12.01 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.468 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -96.11 163.54 13.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.843 0.354 . . . . 0.0 110.849 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 30.3 p -113.33 160.81 17.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -87.09 -43.63 12.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 31.0 p90 -66.1 -35.04 79.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -135.56 -176.65 4.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.123 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.5 t -123.96 161.74 24.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 122.8 -139.36 12.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.456 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.7 109.03 8.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.787 0.327 . . . . 0.0 110.89 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 70.0 m95 -124.48 165.52 17.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.547 HG12 ' SG ' ' A' ' 36' ' ' CYS . 13.4 m -151.11 130.02 3.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -79.66 127.3 7.9 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.48 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.519 HG21 HD21 ' A' ' 25' ' ' LEU . 22.1 t -126.65 139.42 51.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.841 0.353 . . . . 0.0 111.065 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -107.78 100.25 9.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.855 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.423 HD21 HD12 ' A' ' 25' ' ' LEU . 15.0 mt -60.04 136.54 58.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -67.38 -51.87 46.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -65.15 164.0 26.46 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.66 62.94 2.3 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.579 2.186 . . . . 0.0 112.219 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -143.79 140.82 30.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.951 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 179.29 -156.71 19.11 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.535 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.9 mmmt -150.23 -50.04 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.813 0.34 . . . . 0.0 110.964 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -114.78 159.82 20.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.971 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -104.34 33.71 3.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.919 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 74.0 23.88 75.18 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.492 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.97 111.35 6.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.768 0.318 . . . . 0.0 110.79 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 20.5 t -128.08 129.41 69.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.193 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 59.21 -108.82 1.78 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.53 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -125.64 28.52 4.95 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.456 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.5 t -137.38 130.78 43.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.872 0.368 . . . . 0.0 111.128 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -105.77 122.09 45.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -92.35 -31.58 15.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.983 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 29.1 p90 -176.47 174.28 1.94 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.572 ' N ' HD12 ' A' ' 69' ' ' ILE . 3.4 mp -118.65 119.98 62.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 24.2 p -140.45 156.65 69.44 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.841 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.17 167.28 0.53 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.559 2.173 . . . . 0.0 112.292 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -53.11 118.46 4.84 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.643 2.229 . . . . 0.0 112.332 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.27 104.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.992 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -176.83 -39.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.2 118.04 4.61 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.463 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 43.6 tp -123.35 128.16 49.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.827 0.346 . . . . 0.0 110.884 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -97.36 117.55 31.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.404 ' O ' HG22 ' A' ' 47' ' ' VAL . . . -135.05 167.73 20.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.115 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 m -75.76 147.48 39.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.791 HG11 ' CD1' ' A' ' 15' ' ' LEU . 11.4 m -59.55 -30.71 45.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.213 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 19.3 m -60.46 -29.83 69.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.954 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -98.37 31.06 2.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.657 HG23 HD23 ' A' ' 25' ' ' LEU . 28.6 mt -148.18 153.44 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.045 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 89.0 p -132.81 150.06 52.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.938 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.478 ' HG2' HD13 ' A' ' 17' ' ' LEU . 4.8 mtmt -60.38 131.12 49.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.519 ' HB2' ' N ' ' A' ' 24' ' ' LEU . . . . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.031 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 61.9 mtp . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.785 0.326 . . . . 0.0 110.931 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.607 HD22 ' HB3' ' A' ' 17' ' ' LEU . 56.3 mt -68.9 -29.81 68.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.6 t -58.33 -48.84 79.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.934 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.6 -44.06 68.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.129 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.9 mt -64.63 -31.21 72.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.74 29.54 10.62 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.488 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.607 ' HB3' HD22 ' A' ' 12' ' ' LEU . 17.1 tp -113.5 163.78 14.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.796 0.332 . . . . 0.0 110.914 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.1 mtt85 -121.57 167.9 12.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.1 mt -93.07 142.19 27.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.6 -28.42 13.46 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.492 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.67 179.98 0.96 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.814 0.34 . . . . 0.0 110.933 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.64 157.38 15.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.84 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 17.1 m -138.25 163.83 28.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.8 tp -114.66 117.51 31.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.008 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.502 HD12 ' CD2' ' A' ' 51' ' ' LEU . 54.7 mt -95.89 130.43 42.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.9 t70 60.73 25.73 15.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.019 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 55.45 45.97 82.15 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.681 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -170.72 -64.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.798 0.332 . . . . 0.0 110.947 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.02 150.01 30.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.946 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 77.5 p -116.5 133.96 55.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -139.39 171.42 23.72 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.49 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.2 m -117.29 120.55 38.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.805 0.336 . . . . 0.0 110.947 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.655 HD11 ' HB ' ' A' ' 47' ' ' VAL . 19.3 tp -75.47 140.14 42.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.906 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 9.4 mtp180 -133.55 -46.67 0.81 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.441 ' CD1' ' N ' ' A' ' 36' ' ' CYS . 59.9 t80 -115.85 160.24 20.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.441 ' N ' ' CD1' ' A' ' 35' ' ' PHE . 53.0 t -160.01 154.51 23.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.895 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.32 -153.41 17.63 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.494 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.3 p -90.71 151.58 21.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.812 0.339 . . . . 0.0 110.929 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.4 p -99.16 -178.53 3.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.818 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -92.15 -56.85 2.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -60.05 -30.31 69.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.968 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -133.39 174.16 10.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.067 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -134.1 150.33 51.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 130.41 -143.61 14.93 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.473 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.418 ' HB3' HG22 ' A' ' 80' ' ' VAL . 4.9 mp0 -102.11 111.33 23.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.87 0.367 . . . . 0.0 110.857 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 96.6 m95 -135.74 149.66 49.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.655 ' HB ' HD11 ' A' ' 33' ' ' LEU . 12.3 m -147.51 126.89 4.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.461 ' O ' HD12 ' A' ' 33' ' ' LEU . . . -82.99 123.13 5.97 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.6 t -127.62 138.18 55.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.823 0.344 . . . . 0.0 111.012 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -97.84 118.72 35.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.937 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.502 ' CD2' HD12 ' A' ' 25' ' ' LEU . 89.1 mt -71.64 127.37 32.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.89 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -67.45 -34.2 76.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.09 156.54 85.91 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.35 63.01 2.13 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.596 2.197 . . . . 0.0 112.27 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -154.58 140.48 18.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -174.59 -129.7 1.21 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.539 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.56 -40.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.889 0.376 . . . . 0.0 110.95 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 26.5 m-20 -115.51 -178.36 3.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -120.24 29.9 7.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.43 ' HA2' ' CE2' ' A' ' 68' ' ' PHE . . . 94.21 -41.7 2.57 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.528 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 37.8 p -102.58 139.62 37.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.763 0.316 . . . . 0.0 110.927 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.5 t -127.17 115.91 42.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.041 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 59.64 -121.07 25.46 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.409 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -97.24 24.17 32.54 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.664 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 30.2 t -129.24 135.56 61.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.876 0.37 . . . . 0.0 110.984 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.2 ttt180 -117.89 124.61 48.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.933 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.423 ' N ' ' CD1' ' A' ' 67' ' ' TYR . 4.1 m-85 -108.07 -35.53 6.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.971 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.43 ' CE2' ' HA2' ' A' ' 60' ' ' GLY . 24.8 p90 -177.13 175.12 1.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 12.5 pt -117.07 121.16 67.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.152 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.1 p -138.17 158.66 70.58 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.47 164.38 1.39 Allowed 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.514 2.142 . . . . 0.0 112.268 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.69 117.7 3.96 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.603 2.202 . . . . 0.0 112.245 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.6 mmtp 59.95 92.01 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.75 -42.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -73.41 117.59 5.9 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.493 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.04 131.4 34.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.841 0.353 . . . . 0.0 110.919 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -96.13 155.02 16.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -160.05 161.99 34.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.079 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.7 m -73.41 148.07 43.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.829 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.418 HG22 ' HB3' ' A' ' 45' ' ' GLN . 20.8 m -55.55 -30.44 26.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.326 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.8 m -57.8 -26.89 62.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.793 ' O ' HD13 ' A' ' 83' ' ' ILE . 4.5 mmtt -107.66 41.52 1.5 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.025 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.793 HD13 ' O ' ' A' ' 82' ' ' LYS . 22.0 mm -135.57 140.91 43.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.157 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -125.64 156.61 38.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.752 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 11.3 mttm -77.29 124.77 28.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.057 179.962 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 57.6 mmm . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.864 0.364 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.422 HD21 HD21 ' A' ' 33' ' ' LEU . 57.8 mt -59.34 -30.85 68.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.974 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.0 p -59.75 -31.38 69.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.94 -31.65 17.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.095 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.1 mt -71.82 -43.61 65.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.38 37.91 5.77 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.46 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.6 tp -139.15 163.16 33.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.788 0.328 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -112.46 160.19 18.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.8 mt -72.65 145.68 47.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.06 -36.86 3.67 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.484 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -60.18 160.52 8.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.785 0.326 . . . . 0.0 110.961 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.5 mtt180 -79.2 160.69 26.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.781 ' CG2' HG11 ' A' ' 49' ' ' VAL . 19.3 m -135.35 178.74 4.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.138 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.3 tp -122.55 115.65 22.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.449 HD12 HD23 ' A' ' 51' ' ' LEU . 40.6 mt -98.02 129.67 44.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.5 t70 60.37 27.21 16.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.968 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 56.07 25.81 47.46 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.696 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -152.93 -59.97 0.14 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.761 0.315 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.04 157.4 12.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -121.37 144.64 48.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.827 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -151.92 -177.68 25.88 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.493 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.554 ' C ' HG13 ' A' ' 49' ' ' VAL . 5.8 m -123.71 121.27 35.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.793 0.33 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.571 HD12 HG22 ' A' ' 49' ' ' VAL . 21.1 tp -67.55 121.57 16.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.927 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.428 ' HD3' ' CG ' ' A' ' 68' ' ' PHE . 29.2 mtp85 -115.83 -39.15 3.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.868 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -133.06 153.06 51.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.474 ' SG ' HG12 ' A' ' 47' ' ' VAL . 25.3 t -159.82 137.97 10.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.935 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 130.35 -130.77 6.31 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.52 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -107.43 164.42 12.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.826 0.346 . . . . 0.0 110.837 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.47 ' OG1' ' HB3' ' A' ' 42' ' ' ALA . 7.6 p -122.7 179.85 4.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.16 -30.48 15.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -98.81 30.9 3.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.94 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.485 ' HB1' ' HE1' ' A' ' 46' ' ' TRP . . . -170.81 148.22 2.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.122 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.4 m -114.99 36.64 3.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -132.95 -153.4 7.2 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.518 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -97.81 124.27 42.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.867 0.365 . . . . 0.0 110.856 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.485 ' HE1' ' HB1' ' A' ' 42' ' ' ALA . 79.0 m95 -141.11 160.45 40.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.707 HG21 HG13 ' A' ' 83' ' ' ILE . 19.1 m -151.1 134.93 8.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.131 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.432 ' HA3' ' CE1' ' A' ' 77' ' ' PHE . . . -99.46 122.72 7.67 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.46 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.781 HG11 ' CG2' ' A' ' 23' ' ' VAL . 21.3 t -134.63 136.33 52.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.855 0.36 . . . . 0.0 111.09 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -81.23 126.22 31.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.449 HD23 HD12 ' A' ' 25' ' ' LEU . 11.4 mt -74.68 131.88 41.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.949 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -61.16 -35.74 77.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.927 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -93.55 157.49 38.36 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.61 65.43 1.71 Allowed 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.537 2.158 . . . . 0.0 112.223 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -134.25 155.06 50.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.914 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 141.45 -158.99 26.69 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.472 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.8 tptm -145.67 -47.89 0.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.786 0.327 . . . . 0.0 110.937 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 -89.92 153.65 20.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.58 30.03 3.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.798 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.32 -31.75 7.12 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.565 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 75.0 p -110.64 146.37 36.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.856 0.36 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.6 t -126.51 106.27 15.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.058 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 62.99 -97.96 0.21 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.477 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -119.27 28.38 6.59 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.5 t -132.82 117.89 31.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.803 0.335 . . . . 0.0 111.133 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.1 ttt180 -99.41 126.15 45.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -105.0 -33.31 8.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.428 ' CG ' ' HD3' ' A' ' 34' ' ' ARG . 12.4 p90 -177.0 -178.53 0.83 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.942 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 27.8 mt -114.88 117.22 54.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.083 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 16.8 p -140.73 156.15 69.06 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.409 ' CB ' ' HD2' ' A' ' 72' ' ' PRO . 17.1 Cg_endo -57.59 173.24 0.8 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.584 2.19 . . . . 0.0 112.084 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.409 ' HD2' ' CB ' ' A' ' 71' ' ' PRO . 18.8 Cg_endo -58.18 114.85 2.15 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.544 2.163 . . . . 0.0 112.237 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.7 mttm 61.83 77.22 0.34 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.988 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -159.2 28.53 0.2 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -139.16 126.45 3.36 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.423 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 10.9 tp -126.17 146.77 49.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.825 0.345 . . . . 0.0 110.93 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.432 ' CE1' ' HA3' ' A' ' 48' ' ' GLY . 93.3 m-85 -127.33 106.53 9.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.81 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.55 ' O ' HG22 ' A' ' 47' ' ' VAL . . . -131.39 176.34 8.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.183 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.0 m -76.38 166.13 23.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 8.3 m -63.26 -29.6 47.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.33 -30.49 68.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.94 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.7 ' O ' HD13 ' A' ' 83' ' ' ILE . 1.7 mtmt -97.79 36.66 1.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.96 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.707 HG13 HG21 ' A' ' 47' ' ' VAL . 23.1 mm -140.03 152.45 22.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.114 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.2 m -145.23 160.97 40.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.78 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.46 134.12 37.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.827 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.614 ' HB2' ' C ' ' A' ' 23' ' ' VAL . . . . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.054 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.447 ' C ' HD12 ' A' ' 15' ' ' LEU . 2.0 mpp? . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.817 0.341 . . . . 0.0 111.043 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.681 HD22 ' O ' ' A' ' 17' ' ' LEU . 14.2 mt -59.12 -31.84 69.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.4 t -69.58 -46.72 65.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.8 -30.91 59.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.682 HD21 HG21 ' A' ' 80' ' ' VAL . 5.7 mt -72.66 -59.57 2.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.836 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.28 52.65 0.44 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.699 HD23 HD22 ' A' ' 33' ' ' LEU . 14.5 tp -154.79 160.6 41.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.848 0.356 . . . . 0.0 110.874 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.16 166.28 12.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.8 mt -79.05 159.13 27.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.37 22.01 58.01 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.562 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -105.38 157.41 17.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.774 0.321 . . . . 0.0 110.857 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.686 HH21 ' HB1' ' A' ' 86' ' ' ALA . 7.3 ttp180 -82.54 141.7 32.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.946 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.476 ' CG1' HD21 ' A' ' 17' ' ' LEU . 16.8 m -132.15 164.9 33.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.131 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.448 HD12 ' O ' ' A' ' 29' ' ' LYS . 23.9 tp -106.56 110.74 23.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.44 HD12 HD23 ' A' ' 51' ' ' LEU . 65.1 mt -92.32 131.62 37.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 59.37 25.47 14.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.048 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 55.75 36.49 65.78 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.695 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.33 -51.53 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.853 0.359 . . . . 0.0 110.891 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.448 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -73.29 161.84 30.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.1 p -123.72 143.98 49.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.825 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -142.61 -179.96 19.84 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.459 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.83 110.36 14.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.856 0.36 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.699 HD22 HD23 ' A' ' 17' ' ' LEU . 12.5 tp -60.51 125.05 22.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.424 ' HB2' ' CD2' ' A' ' 68' ' ' PHE . 4.9 mtp85 -121.91 -42.67 2.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.968 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -131.13 154.91 47.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.929 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.572 ' SG ' HG12 ' A' ' 47' ' ' VAL . 42.0 t -155.9 141.92 18.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 127.15 -139.85 11.48 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.533 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.503 HG22 ' H ' ' A' ' 44' ' ' GLY . 0.6 OUTLIER -88.93 162.28 16.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.779 0.323 . . . . 0.0 110.958 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.615 HG21 ' CE2' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -127.62 167.84 15.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.851 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.59 -30.94 26.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.615 ' CE2' HG21 ' A' ' 39' ' ' THR . 53.8 p90 -84.34 -31.0 25.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.93 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.65 105.5 4.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.243 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -78.61 117.73 20.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.503 ' H ' HG22 ' A' ' 38' ' ' THR . . . 164.69 -112.21 0.5 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.503 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -130.96 104.09 6.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.778 0.323 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 71.2 m95 -137.85 165.6 26.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.572 HG12 ' SG ' ' A' ' 36' ' ' CYS . 30.9 m -148.83 131.38 6.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -88.24 115.94 4.49 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.499 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.5 t -122.37 150.67 26.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.85 0.357 . . . . 0.0 111.088 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -105.97 116.46 31.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.882 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.44 HD23 HD12 ' A' ' 25' ' ' LEU . 50.1 mt -62.83 129.73 41.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.37 -34.97 78.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -86.58 156.24 56.23 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -62.26 75.63 0.1 OUTLIER 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.736 2.291 . . . . 0.0 112.314 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.403 ' O ' HD12 ' A' ' 51' ' ' LEU . 3.3 mt-10 -160.05 141.7 12.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.889 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 174.63 -169.1 42.0 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.557 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.7 mtmm -132.03 -46.43 0.93 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.891 0.377 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.488 ' OD1' HG22 ' A' ' 62' ' ' VAL . 10.2 m-80 -111.59 167.07 10.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -108.0 35.41 3.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.852 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 102.37 -47.02 1.18 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.45 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -103.21 133.88 47.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.821 0.343 . . . . 0.0 110.889 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.488 HG22 ' OD1' ' A' ' 58' ' ' ASN . 21.5 t -135.51 133.45 52.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.07 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 59.63 27.1 63.32 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.507 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.3 -29.6 9.94 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.544 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 28.5 t -73.14 149.6 8.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.826 0.346 . . . . 0.0 111.074 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.8 ttp180 -125.51 119.22 27.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -104.58 -32.68 8.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.966 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.424 ' CD2' ' HB2' ' A' ' 34' ' ' ARG . 33.6 p90 -171.61 -177.8 2.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 27.9 mm -117.68 144.25 26.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.025 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 28.4 p -168.31 151.48 5.5 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.947 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.47 171.34 0.21 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.52 2.147 . . . . 0.0 112.291 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.34 117.5 3.69 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.596 2.197 . . . . 0.0 112.247 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 42.2 mttp 60.19 102.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -172.2 -41.67 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.981 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.54 102.49 0.89 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.424 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.9 tp -104.93 127.82 52.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.824 0.345 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -103.9 122.37 45.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.857 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -141.25 179.55 6.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.135 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.5 m -94.16 146.75 23.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.682 HG21 HD21 ' A' ' 15' ' ' LEU . 16.5 m -57.63 -30.19 36.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.211 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 93.9 p -60.11 -30.22 69.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.025 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.0 mttm -102.08 32.51 3.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.976 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 40.2 mt -146.06 145.02 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.167 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.7 t -121.77 172.4 8.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.94 123.36 32.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.938 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.686 ' HB1' HH21 ' A' ' 22' ' ' ARG . . . . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.03 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.46 ' SD ' HG11 ' A' ' 80' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.799 0.333 . . . . 0.0 110.889 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.721 HD21 HD21 ' A' ' 33' ' ' LEU . 83.8 mt -61.01 -31.86 71.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.94 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 63.5 p -59.78 -30.78 69.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.979 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.81 -39.08 17.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.16 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.0 mt -70.04 -30.83 68.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.967 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.01 27.7 33.34 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.446 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 tp -123.64 164.72 18.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.837 0.351 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -125.42 148.76 48.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.773 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.2 mt -58.16 151.64 18.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.28 -28.46 15.64 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.483 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.26 170.49 16.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.821 0.343 . . . . 0.0 110.862 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -92.27 160.57 15.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 19.3 m -133.94 160.93 41.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 21.8 tp -95.95 121.13 37.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.817 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.62 HD23 HG23 ' A' ' 83' ' ' ILE . 21.5 mt -105.66 113.1 26.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.028 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 56.28 24.16 7.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.343 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 54.3 41.2 70.46 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.699 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -155.88 -48.68 0.08 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.823 0.344 . . . . 0.0 110.885 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.45 142.31 29.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.952 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.1 p -112.46 134.33 54.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -132.95 -174.06 13.49 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.461 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.7 m -124.2 122.82 38.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.875 0.369 . . . . 0.0 110.982 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.721 HD21 HD21 ' A' ' 12' ' ' LEU . 21.9 tp -68.33 123.76 21.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -113.12 -58.95 2.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -117.09 158.8 23.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.3 t -154.45 148.43 25.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 122.23 -146.25 16.8 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.512 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -106.42 141.46 37.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.848 0.356 . . . . 0.0 110.949 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 34.9 p -83.89 -178.31 6.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -105.26 -40.68 5.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.973 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -68.45 -31.53 70.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.936 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -131.36 -173.59 3.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.116 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 24.4 p -128.64 143.43 50.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 129.5 169.72 12.6 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.502 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -79.13 101.42 7.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.751 0.31 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -109.6 153.79 23.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.949 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.534 ' CG2' HD12 ' A' ' 83' ' ' ILE . 16.8 m -143.51 127.09 13.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -80.54 121.91 5.57 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.474 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.522 HG11 HD21 ' A' ' 25' ' ' LEU . 21.6 t -120.69 132.03 71.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.802 0.334 . . . . 0.0 111.133 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -95.65 115.03 26.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 18.5 mt -61.29 115.41 3.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.934 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.18 -31.38 70.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.934 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -94.77 161.51 28.42 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.998 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.56 83.73 0.82 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.547 2.164 . . . . 0.0 112.274 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -160.02 173.66 15.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.956 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 115.72 177.24 18.45 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.601 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.02 31.46 2.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.783 0.325 . . . . 0.0 110.801 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -145.28 167.98 21.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.852 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -129.48 26.01 5.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.031 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 94.34 -24.86 25.35 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.619 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 t -115.08 141.1 48.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.812 0.339 . . . . 0.0 110.978 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.6 t -123.19 113.52 38.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 63.83 -90.57 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.526 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -129.13 23.03 4.99 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.583 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.1 t -128.75 129.61 68.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.833 0.349 . . . . 0.0 110.971 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 34.3 ttm-85 -111.94 134.1 53.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.935 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -115.06 -42.14 3.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 30.1 p90 -159.22 -177.72 6.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.76 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 15.5 mt -126.19 142.77 41.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 8.7 p -161.1 160.84 24.52 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.6 172.06 0.18 Allowed 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.604 2.203 . . . . 0.0 112.253 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.29 106.26 0.14 Allowed 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.51 2.14 . . . . 0.0 112.343 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt 60.63 83.62 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.953 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.65 28.28 0.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.941 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -158.54 149.14 19.18 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.488 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -150.51 149.76 30.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.781 0.324 . . . . 0.0 110.946 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -106.07 123.88 48.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.579 ' HB3' HD11 ' A' ' 83' ' ' ILE . . . -132.54 179.58 6.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.17 160.27 14.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.46 HG11 ' SD ' ' A' ' 11' ' ' MET . 17.3 m -58.35 -34.57 50.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.165 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 31.7 t -67.51 -27.13 66.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.956 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.27 22.95 7.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.135 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.62 HG23 HD23 ' A' ' 25' ' ' LEU . 28.3 mt -150.72 156.47 6.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.033 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.449 ' N ' HG22 ' A' ' 83' ' ' ILE . 1.5 m -135.22 141.23 45.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -60.35 123.0 15.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.044 -179.98 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.67 ' HE1' HG13 ' A' ' 80' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.772 0.32 . . . . 0.0 110.87 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.7 mt -73.35 -37.01 66.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.4 m -64.5 -39.08 93.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.03 -50.69 65.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.101 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.681 HD11 HG11 ' A' ' 80' ' ' VAL . 14.5 mt -64.07 -67.16 0.45 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 131.63 43.42 0.17 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.49 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.525 HD13 ' HG2' ' A' ' 85' ' ' LYS . 1.1 tp -139.05 154.03 48.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.812 0.339 . . . . 0.0 110.902 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.1 mtt-85 -115.02 149.55 37.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 70.0 mt -59.09 167.92 1.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.916 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.94 19.4 50.33 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.649 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -108.25 167.34 10.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.841 0.353 . . . . 0.0 110.918 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.16 154.99 16.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.3 m -138.12 169.25 18.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.152 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.5 tp -110.89 113.82 26.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.908 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.485 HD12 HD23 ' A' ' 51' ' ' LEU . 79.9 mt -90.5 123.1 33.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 61.27 28.05 17.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.98 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 56.84 27.21 55.85 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.585 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 -152.26 -64.68 0.17 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.833 0.349 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.56 152.91 24.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.821 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.7 p -114.56 132.09 56.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -140.96 155.97 25.26 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.546 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.14 128.67 53.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.362 . . . . 0.0 110.874 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.753 HD11 ' HB ' ' A' ' 47' ' ' VAL . 8.9 tp -77.24 147.64 36.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.816 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.426 ' HD3' ' CG ' ' A' ' 68' ' ' PHE . 12.0 mtp180 -142.11 -46.84 0.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -113.66 150.17 33.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.502 ' HA ' HG12 ' A' ' 47' ' ' VAL . 30.4 p -142.75 143.0 32.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 112.39 178.56 19.82 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.525 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 73.7 p -59.1 162.19 4.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.724 0.297 . . . . 0.0 110.966 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.846 HG23 ' HB2' ' A' ' 46' ' ' TRP . 9.7 p -104.89 -178.88 3.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.86 -28.02 13.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -113.58 37.77 3.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.991 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.529 ' HB3' ' OG1' ' A' ' 39' ' ' THR . . . -174.68 160.65 3.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.18 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 12.5 t -104.45 150.54 24.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 95.39 178.45 37.05 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.448 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -82.68 130.91 35.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.81 0.338 . . . . 0.0 110.959 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.846 ' HB2' HG23 ' A' ' 39' ' ' THR . 25.2 m95 -129.34 161.61 29.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.753 ' HB ' HD11 ' A' ' 33' ' ' LEU . 8.5 m -146.41 130.65 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.108 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -77.55 122.39 6.08 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.443 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.701 HG21 HD13 ' A' ' 83' ' ' ILE . 21.4 t -122.64 144.58 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.348 . . . . 0.0 111.16 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -112.14 110.0 20.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.82 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.485 HD23 HD12 ' A' ' 25' ' ' LEU . 56.1 mt -59.99 143.52 51.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -79.47 -53.28 7.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -74.2 156.59 87.46 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.8 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -59.58 80.91 0.06 OUTLIER 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.616 2.211 . . . . 0.0 112.281 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -151.98 138.85 18.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.818 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 149.31 171.76 18.27 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.462 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.5 tptp -141.92 31.59 1.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.805 0.336 . . . . 0.0 110.855 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -159.32 163.26 35.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -106.38 33.05 4.05 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.94 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.434 ' HA3' ' CE2' ' A' ' 68' ' ' PHE . . . 65.07 28.53 73.65 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.478 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 35.7 t -157.56 160.38 38.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.803 0.335 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.453 HG12 ' N ' ' A' ' 63' ' ' GLY . 21.4 t -130.6 156.99 42.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.085 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.453 ' N ' HG12 ' A' ' 62' ' ' VAL . . . -59.73 90.76 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.452 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 127.7 -28.68 4.39 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.461 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.6 t -137.7 130.15 41.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.809 0.337 . . . . 0.0 111.16 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.3 ttm105 -107.66 113.21 26.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -84.51 -43.62 14.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.434 ' CE2' ' HA3' ' A' ' 60' ' ' GLY . 15.8 p90 -169.09 178.21 4.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.915 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 1.3 pp -119.68 140.12 44.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.056 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 10.1 p -163.27 161.2 18.28 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.943 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_exo -51.74 167.96 0.38 Allowed 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.566 2.178 . . . . 0.0 112.233 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -60.94 123.39 12.85 Favored 'Trans proline' 0 C--N 1.345 0.395 0 C-N-CA 122.534 2.156 . . . . 0.0 112.215 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.82 88.77 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -165.86 -42.91 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -71.27 135.11 23.6 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.503 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -141.18 134.71 29.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.814 0.34 . . . . 0.0 110.866 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -101.92 140.77 35.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.827 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.638 ' HB3' HD11 ' A' ' 83' ' ' ILE . . . -159.64 176.31 12.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.159 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 51.1 m -99.91 157.51 16.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.681 HG11 HD11 ' A' ' 15' ' ' LEU . 5.2 m -56.85 -28.35 28.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.298 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 29.9 p -62.04 -30.75 71.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.958 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -106.49 27.85 8.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.067 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.701 HD13 HG21 ' A' ' 49' ' ' VAL . 37.0 mt -148.82 139.01 16.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.977 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.23 177.3 4.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.525 ' HG2' HD13 ' A' ' 17' ' ' LEU . 1.5 mtmt -94.63 44.58 1.11 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.978 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 179.987 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 74.0 mmm . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.752 0.311 . . . . 0.0 110.923 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.429 HD21 HD21 ' A' ' 33' ' ' LEU . 62.3 mt -58.05 -31.61 67.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.58 -31.59 47.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.88 -46.04 15.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.158 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 47.9 mt -61.04 -63.36 1.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.955 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 128.73 42.24 0.25 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.508 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.456 HD13 ' CG ' ' A' ' 85' ' ' LYS . 18.2 tp -154.94 149.19 26.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.836 0.35 . . . . 0.0 110.835 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.8 mtt-85 -115.61 167.68 10.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.835 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.513 ' HA ' HD23 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -75.55 148.54 38.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.04 -33.7 6.36 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.582 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.43 167.12 22.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.863 0.364 . . . . 0.0 110.799 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.4 mtt-85 -85.96 158.39 19.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.941 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 23.2 m -134.59 156.37 40.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.138 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.501 ' HB2' ' HB2' ' A' ' 86' ' ' ALA . 11.6 tp -99.3 116.49 31.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.578 HD23 HG23 ' A' ' 83' ' ' ILE . 25.5 mt -102.43 121.74 42.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 59.68 25.4 14.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.034 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 55.58 50.43 60.48 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.701 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.85 -70.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.841 0.353 . . . . 0.0 110.962 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.4 135.12 55.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.69 144.83 25.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -142.41 167.68 26.06 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.519 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.87 123.24 45.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.83 0.348 . . . . 0.0 110.868 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.513 HD23 ' HA ' ' A' ' 19' ' ' LEU . 10.6 tp -64.27 137.32 57.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.2 mmp_? -131.41 -46.08 0.99 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.447 ' CD1' ' N ' ' A' ' 36' ' ' CYS . 47.8 t80 -139.71 156.81 46.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.6 ' HA ' HG12 ' A' ' 47' ' ' VAL . 49.6 t -148.87 149.02 30.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 116.89 -145.37 18.69 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.467 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 58.8 p -80.92 -178.76 7.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.788 0.327 . . . . 0.0 110.943 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.517 ' OG1' ' HB3' ' A' ' 42' ' ' ALA . 0.8 OUTLIER -138.86 -177.91 5.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -98.56 -32.33 11.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.909 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 9.1 p90 -106.66 28.06 8.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.968 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.517 ' HB3' ' OG1' ' A' ' 39' ' ' THR . . . -166.57 158.15 13.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.092 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 28.8 t -126.29 119.88 28.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 137.37 -131.29 5.47 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.462 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -111.38 122.3 47.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.808 0.337 . . . . 0.0 110.917 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 91.4 m95 -145.99 149.86 34.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.634 HG22 ' O ' ' A' ' 78' ' ' ALA . 27.3 m -142.69 146.86 21.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.162 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -94.14 119.68 6.11 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.53 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.467 HG21 HD13 ' A' ' 83' ' ' ILE . 21.4 t -121.75 141.9 40.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.908 0.385 . . . . 0.0 111.119 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -105.23 112.42 25.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 37.1 mt -63.98 131.2 46.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.021 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -70.64 -33.16 70.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.826 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.49 154.7 79.03 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -67.48 66.51 0.76 Allowed 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.54 2.16 . . . . 0.0 112.254 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -157.24 146.8 20.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 179.23 -149.42 8.76 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.497 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.81 -46.23 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.823 0.344 . . . . 0.0 110.948 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -104.1 158.85 16.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.948 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -101.67 24.96 9.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 95.43 -32.93 5.81 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.675 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 t -112.39 139.09 48.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.806 0.336 . . . . 0.0 111.003 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.9 t -152.26 142.37 15.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 58.86 23.85 56.91 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.623 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 95.67 -32.27 6.44 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.527 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.5 t -80.4 138.66 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.846 0.355 . . . . 0.0 111.152 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.4 ttt85 -111.6 118.98 37.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -88.5 -33.65 17.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.906 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 32.2 p90 -175.96 -179.25 1.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.904 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.2 pt -119.05 135.06 60.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.072 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 30.8 p -161.05 160.74 24.65 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_exo -51.26 167.62 0.33 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.531 2.154 . . . . 0.0 112.295 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -60.37 125.05 16.42 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.601 2.2 . . . . 0.0 112.156 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.3 mtmm 61.82 88.91 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.797 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -166.59 -42.53 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.986 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.3 111.82 4.26 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.528 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.38 141.05 52.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.845 0.355 . . . . 0.0 110.907 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -104.81 137.21 42.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.634 ' O ' HG22 ' A' ' 47' ' ' VAL . . . -146.59 166.55 26.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.64 149.51 26.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 17.8 m -57.45 -37.64 58.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.246 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.4 t -65.02 -24.94 67.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.093 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -97.14 27.56 4.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.157 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.631 HD11 ' HB3' ' A' ' 78' ' ' ALA . 34.2 mt -149.96 143.12 17.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.105 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.3 m -119.35 179.67 4.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.456 ' CG ' HD13 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -90.05 122.22 32.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.971 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.501 ' HB2' ' HB2' ' A' ' 24' ' ' LEU . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.076 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 7.4 mmt . . . . . 0 CA--C 1.527 0.068 0 CA-C-O 120.742 0.306 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.829 HD22 ' O ' ' A' ' 17' ' ' LEU . 9.4 mt -57.85 -35.27 70.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.969 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 97.1 p -66.71 -32.25 73.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.931 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.53 -31.36 47.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.055 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.4 mt -84.19 -49.88 8.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.861 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.89 39.79 2.26 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.468 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.829 ' O ' HD22 ' A' ' 12' ' ' LEU . 5.9 tp -132.49 166.24 22.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.768 0.318 . . . . 0.0 110.877 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.9 mtt180 -125.15 156.95 37.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.433 HD22 ' C ' ' A' ' 34' ' ' ARG . 94.5 mt -64.79 106.1 1.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 144.49 -27.98 1.94 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.596 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -72.45 173.28 9.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.915 0.388 . . . . 0.0 110.853 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.52 155.11 17.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 26.2 m -140.34 156.76 24.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.101 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' A' ' 24' ' ' LEU . 12.4 tp -96.09 119.2 34.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.88 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.687 HD12 HD23 ' A' ' 51' ' ' LEU . 33.3 mt -102.21 118.91 37.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 t70 60.59 26.84 16.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 55.62 26.97 47.61 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.522 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -144.35 -71.43 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.841 0.353 . . . . 0.0 110.837 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.7 171.0 5.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.7 p -140.87 143.12 34.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -149.96 177.25 28.21 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.484 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.7 m -111.3 132.89 54.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.789 0.328 . . . . 0.0 110.838 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.691 ' CD2' HD21 ' A' ' 12' ' ' LEU . 19.7 tp -71.89 131.15 42.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.433 ' C ' HD22 ' A' ' 19' ' ' LEU . 2.3 mtp180 -125.33 -44.4 1.87 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.4 ' CD2' ' N ' ' A' ' 36' ' ' CYS . 70.0 t80 -122.27 162.12 22.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.939 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.577 ' SG ' HG12 ' A' ' 47' ' ' VAL . 2.4 t -157.7 136.18 11.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 128.41 -154.42 19.98 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.521 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.9 t -65.96 -171.17 0.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.823 0.344 . . . . 0.0 110.961 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.51 HG23 ' HB2' ' A' ' 46' ' ' TRP . 0.8 OUTLIER -145.26 -177.25 5.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.9 -31.54 17.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -105.61 31.14 5.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.414 ' HB3' ' OG1' ' A' ' 39' ' ' THR . . . -175.66 160.5 2.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 96.8 p -110.01 -30.6 7.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.32 -163.57 0.1 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.525 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -87.89 136.69 32.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.836 0.35 . . . . 0.0 110.882 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.51 ' HB2' HG23 ' A' ' 39' ' ' THR . 49.2 m95 -143.52 168.43 19.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.577 HG12 ' SG ' ' A' ' 36' ' ' CYS . 30.9 m -151.1 138.28 13.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.061 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -96.47 121.16 6.89 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.549 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.0 t -127.03 145.86 33.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.883 0.373 . . . . 0.0 111.047 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -101.86 111.58 23.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.687 HD23 HD12 ' A' ' 25' ' ' LEU . 6.7 mt -63.87 123.72 19.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.868 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -60.83 -31.42 70.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.95 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -83.39 160.26 59.9 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.1 62.67 2.56 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.624 2.216 . . . . 0.0 112.313 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -156.74 157.16 34.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 153.13 -33.53 0.79 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.534 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.23 34.36 20.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.804 0.335 . . . . 0.0 110.913 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -155.01 143.42 20.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -108.78 34.4 3.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.51 28.41 71.21 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.555 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.9 t -152.45 149.09 28.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.856 0.36 . . . . 0.0 110.909 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.5 t -150.41 118.35 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.094 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 63.04 -121.34 24.44 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.454 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -103.49 29.58 12.01 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.546 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.5 t -133.77 152.21 34.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.856 0.36 . . . . 0.0 111.104 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.7 ttm-85 -126.33 153.09 45.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -127.32 -45.14 1.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 23.6 p90 -171.45 165.22 7.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 23.2 pt -105.28 129.76 57.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.062 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 25.8 p -152.06 161.25 29.96 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_exo -51.47 168.08 0.32 Allowed 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.533 2.156 . . . . 0.0 112.203 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -56.03 114.55 1.95 Allowed 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.568 2.179 . . . . 0.0 112.162 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 21.0 mttt 62.5 96.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -159.82 -45.5 0.05 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.9 162.02 39.58 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.51 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . 0.441 HD22 HD11 ' A' ' 51' ' ' LEU . 15.1 tp -160.01 119.85 2.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.855 0.359 . . . . 0.0 110.827 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -99.49 133.15 44.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -156.4 179.98 8.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.05 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 25.0 m -87.28 152.62 22.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 10.3 m -59.76 -30.75 45.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.126 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.31 -30.86 69.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.951 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -97.99 27.48 4.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.01 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.524 HD12 ' CG2' ' A' ' 47' ' ' VAL . 22.4 mt -150.5 146.86 16.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.034 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 68.3 m -124.08 179.42 4.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -96.82 41.37 1.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.83 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.087 179.953 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.818 0.342 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.4 mt -59.76 -33.49 71.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.762 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.4 t -76.05 -38.15 57.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.97 -31.01 70.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.182 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.834 HD11 HG11 ' A' ' 80' ' ' VAL . 3.8 mt -93.43 -61.54 1.54 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 123.62 40.16 0.47 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.433 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.6 tp -138.77 158.97 43.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.882 0.372 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -128.7 159.11 36.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 50.6 mt -62.84 149.42 44.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.65 -30.86 8.54 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.462 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -74.99 154.96 37.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.784 0.326 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -86.64 156.84 19.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.739 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.4 m -141.15 178.83 2.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.102 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.5 tp -119.65 117.25 27.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.932 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.611 HD23 HG23 ' A' ' 83' ' ' ILE . 13.1 mt -98.17 131.3 44.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.824 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 59.72 25.5 14.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.036 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 54.97 41.72 78.07 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.579 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -164.99 -68.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.864 0.364 . . . . 0.0 110.919 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.43 144.77 56.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 43.8 p -112.52 138.68 48.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -146.12 -178.44 21.56 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.507 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 64.7 m -123.91 126.06 45.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.812 0.339 . . . . 0.0 110.874 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.498 HD12 HG22 ' A' ' 49' ' ' VAL . 14.0 tp -67.9 114.77 6.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.425 ' HB3' ' CD1' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -105.19 -36.51 7.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -135.28 160.16 39.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.805 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.555 ' SG ' HG12 ' A' ' 47' ' ' VAL . 24.4 t -159.66 147.52 17.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.942 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 119.79 -168.26 13.61 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.484 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.0 t -71.37 -171.27 0.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.838 0.352 . . . . 0.0 110.882 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 21.4 p -135.57 175.92 9.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -109.41 28.24 8.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 19.6 p90 -161.33 29.07 0.13 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.964 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -177.76 137.17 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.084 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.4 m -91.18 84.27 5.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.845 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -176.79 -163.89 29.79 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.529 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -109.4 136.5 48.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.858 0.361 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 81.7 m95 -143.35 162.52 35.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.961 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.598 HG22 ' O ' ' A' ' 78' ' ' ALA . 5.4 m -151.21 128.59 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -85.02 125.05 7.02 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.52 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.498 HG22 HD12 ' A' ' 33' ' ' LEU . 21.3 t -133.32 133.03 58.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.894 0.378 . . . . 0.0 111.131 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -81.35 132.46 35.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.802 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 92.3 mt -84.27 123.19 29.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.972 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -58.01 -49.01 78.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.937 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -84.01 161.43 55.31 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.815 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -68.44 78.47 0.65 Allowed 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.481 2.121 . . . . 0.0 112.283 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -142.02 165.36 27.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.809 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 109.59 -172.77 16.31 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.546 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -153.9 32.03 0.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.851 0.357 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 53.7 m-80 -151.63 141.84 22.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -101.48 31.47 3.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 85.78 28.69 28.44 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.512 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 73.9 p -149.75 117.77 6.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.85 0.357 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.7 t -119.93 122.88 69.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.142 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 59.71 -124.75 37.22 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.448 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -105.76 32.2 7.65 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.472 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.5 t -141.99 121.81 10.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.81 0.338 . . . . 0.0 111.106 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.0 ttp-105 -100.04 141.13 33.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -113.9 -43.89 3.22 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.981 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.425 ' CD1' ' HB3' ' A' ' 34' ' ' ARG . 49.8 p90 -165.47 -176.47 3.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.976 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.403 HG22 ' N ' ' A' ' 70' ' ' CYS . 26.3 mt -120.02 154.09 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.138 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.403 ' N ' HG22 ' A' ' 69' ' ' ILE . 4.9 p -171.11 157.88 5.02 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo -57.63 171.92 1.26 Allowed 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.657 2.238 . . . . 0.0 112.311 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_exo -51.95 119.02 5.08 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.589 2.192 . . . . 0.0 112.485 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt 58.26 76.18 0.35 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.076 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -157.17 26.2 0.31 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.072 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -144.59 116.48 0.95 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.477 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.0 tp -123.68 144.79 49.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.935 0.398 . . . . 0.0 110.82 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -121.71 126.62 49.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.598 ' O ' HG22 ' A' ' 47' ' ' VAL . . . -150.69 -179.97 7.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.142 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 m -85.96 158.38 19.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.834 HG11 HD11 ' A' ' 15' ' ' LEU . 10.3 m -61.61 -30.84 49.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.087 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 29.5 t -61.11 -27.82 68.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.981 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.9 mttp -97.75 30.32 3.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.019 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.611 HG23 HD23 ' A' ' 25' ' ' LEU . 24.2 mt -149.88 148.65 15.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.034 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 84.2 p -134.56 146.82 50.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.23 131.44 50.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.926 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.095 -179.964 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 8.3 tpt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.859 0.362 . . . . 0.0 110.943 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 1.025 HD23 HD12 ' A' ' 15' ' ' LEU . 6.7 mt -70.85 -28.67 64.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.972 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.6 p -56.93 -30.31 63.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.86 -30.94 26.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.121 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 1.025 HD12 HD23 ' A' ' 12' ' ' LEU . 37.4 mt -72.36 -53.92 10.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 116.62 33.64 1.4 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.528 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.402 HD13 ' HG3' ' A' ' 85' ' ' LYS . 1.3 tp -143.99 148.33 35.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.837 0.351 . . . . 0.0 110.932 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -99.16 172.66 7.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.558 HD21 ' SG ' ' A' ' 36' ' ' CYS . 85.3 mt -82.72 145.93 29.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.59 -29.37 10.48 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.481 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -69.31 150.89 46.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.762 0.315 . . . . 0.0 110.966 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.8 149.46 41.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.563 HG22 ' O ' ' A' ' 31' ' ' GLY . 21.9 m -134.27 167.31 26.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.131 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.7 tp -107.95 100.87 10.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.665 HD21 HG11 ' A' ' 49' ' ' VAL . 35.6 mt -75.41 126.26 30.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 59.9 23.48 12.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.126 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 54.44 51.71 49.72 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.719 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -176.21 -49.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.884 0.373 . . . . 0.0 110.939 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -82.0 143.13 31.8 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 40.6 p -99.26 118.49 36.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.944 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.563 ' O ' HG22 ' A' ' 23' ' ' VAL . . . -130.17 138.74 10.42 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.43 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 63.1 m -88.49 116.39 26.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.801 0.334 . . . . 0.0 110.964 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.817 HD12 HG22 ' A' ' 49' ' ' VAL . 9.1 tp -75.04 147.05 41.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.801 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.46 ' O ' HD22 ' A' ' 19' ' ' LEU . 1.6 mmp_? -135.84 -46.62 0.66 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.992 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -121.85 155.49 35.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.564 ' HA ' HG12 ' A' ' 47' ' ' VAL . 30.6 p -148.77 134.69 19.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.84 -132.59 6.09 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.497 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.2 t -108.69 172.59 6.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.829 0.347 . . . . 0.0 110.845 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.1 p -111.19 179.22 4.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -103.23 -29.62 11.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.03 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.411 ' CD2' HG11 ' A' ' 62' ' ' VAL . 25.5 p90 -86.81 -29.69 22.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.958 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -129.69 -169.73 2.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.043 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.5 -178.86 5.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 86.63 -170.17 41.88 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.514 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -77.67 123.49 26.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.861 0.362 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 88.8 m95 -147.9 151.34 35.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.573 HG22 ' O ' ' A' ' 78' ' ' ALA . 27.6 m -150.02 148.18 15.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.153 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -93.72 124.44 7.84 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.509 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.817 HG22 HD12 ' A' ' 33' ' ' LEU . 14.5 t -133.17 144.38 36.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.855 0.36 . . . . 0.0 111.114 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -104.85 118.37 36.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 84.7 mt -66.9 130.73 44.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.857 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -64.01 -40.28 96.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -79.24 160.97 69.57 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.57 64.19 2.27 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.551 2.167 . . . . 0.0 112.261 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -146.46 159.57 43.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 156.76 -165.25 33.01 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.472 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -154.9 30.4 0.41 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.806 0.336 . . . . 0.0 110.883 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -173.89 159.69 3.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -108.33 31.19 5.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 73.27 33.14 59.34 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.535 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.0 m -158.95 148.52 18.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.816 0.341 . . . . 0.0 110.913 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.411 HG11 ' CD2' ' A' ' 41' ' ' PHE . 21.5 t -141.69 107.08 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.185 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 59.6 -114.12 5.94 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.542 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -100.42 28.25 16.69 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.575 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.5 t -135.43 149.66 28.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.857 0.36 . . . . 0.0 111.07 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.25 131.28 27.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -102.84 -31.86 10.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 19.6 p90 -170.29 170.16 7.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.8 mt -109.37 115.64 50.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 30.7 p -141.39 160.97 55.16 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.974 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.34 168.7 0.9 Allowed 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.628 2.218 . . . . 0.0 112.225 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -62.54 119.84 7.11 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.54 2.16 . . . . 0.0 112.231 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.9 mtmt 62.14 88.03 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -160.85 -44.01 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -81.08 148.58 28.57 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.535 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.3 tp -143.9 149.19 36.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.815 0.341 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -109.19 126.87 53.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.839 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.573 ' O ' HG22 ' A' ' 47' ' ' VAL . . . -139.56 167.68 21.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.075 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.7 m -81.08 147.54 30.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 7.3 m -59.0 -29.86 42.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.166 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.02 -29.45 70.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.001 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.4 mmpt? -98.58 31.73 2.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.582 HG23 HD23 ' A' ' 25' ' ' LEU . 35.7 mt -146.57 154.04 12.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.068 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.407 ' N ' HG22 ' A' ' 83' ' ' ILE . 0.3 OUTLIER -134.99 166.67 22.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . 0.402 ' HG3' HD13 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -78.05 126.18 30.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.901 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' MET . . . . . 0.745 ' HB2' HG11 ' A' ' 80' ' ' VAL . 44.0 mmm . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.749 0.309 . . . . 0.0 111.073 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.509 HD11 ' SG ' ' A' ' 36' ' ' CYS . 46.0 mt -56.31 -34.18 66.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.026 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 m -68.96 -31.37 70.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.86 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.53 -39.42 58.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.094 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mt -75.48 -57.4 3.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 119.6 38.09 0.74 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.489 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.8 tp -132.74 154.4 50.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.795 0.331 . . . . 0.0 110.867 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.4 mtm-85 -109.24 168.95 9.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.951 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.4 mt -73.15 149.22 43.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.16 -37.44 3.48 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.515 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.6 167.45 5.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.839 0.352 . . . . 0.0 110.866 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.7 mtm-85 -87.84 163.98 16.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.4 m -142.31 149.09 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.172 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.1 tp -94.56 108.54 20.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.46 HD23 HG23 ' A' ' 83' ' ' ILE . 44.2 mt -88.79 123.4 33.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.941 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 59.41 24.58 13.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.062 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 54.49 26.95 39.74 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.729 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -146.16 -52.92 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.817 0.341 . . . . 0.0 110.932 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.37 166.53 23.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.953 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.5 p -135.9 129.68 32.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.936 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -141.92 162.79 27.07 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.507 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.9 m -101.76 140.57 35.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 0.0 110.879 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.503 HD21 ' SG ' ' A' ' 36' ' ' CYS . 13.4 tp -83.49 147.71 27.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.444 ' HD3' ' CG ' ' A' ' 68' ' ' PHE . 3.3 mtp85 -142.55 -54.49 0.42 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.87 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -117.11 152.75 34.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.509 ' SG ' HD11 ' A' ' 12' ' ' LEU . 53.6 m -154.87 149.21 26.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 118.49 -142.25 16.76 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.55 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.1 p -91.11 166.04 13.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 111.015 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.454 HG23 ' HB2' ' A' ' 46' ' ' TRP . 11.7 p -109.35 170.83 7.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -107.52 46.55 0.93 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PHE . . . . . 0.429 ' CD1' ' N ' ' A' ' 42' ' ' ALA . 25.9 p90 -167.67 -42.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.994 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.429 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . -105.78 -31.99 8.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.082 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.0 m 60.43 98.13 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 169.32 178.92 40.92 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.444 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.6 mp0 -60.28 99.93 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.81 0.338 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' TRP . . . . . 0.454 ' HB2' HG23 ' A' ' 39' ' ' THR . 99.2 m95 -137.63 153.14 49.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.462 HG22 ' O ' ' A' ' 78' ' ' ALA . 18.2 m -147.48 136.53 15.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.121 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -86.15 116.95 4.49 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.464 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.5 t -123.74 130.49 73.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.86 0.362 . . . . 0.0 111.159 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -93.95 120.68 34.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.557 HD12 ' O ' ' A' ' 55' ' ' GLU . 56.6 mt -75.45 132.52 40.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.47 -51.65 64.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -81.9 148.82 61.94 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -52.98 89.3 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.509 2.14 . . . . 0.0 112.326 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.557 ' O ' HD12 ' A' ' 51' ' ' LEU . 0.7 OUTLIER -157.36 130.31 7.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 157.21 172.39 24.37 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.444 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.7 mtmm -131.58 29.57 4.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.867 0.365 . . . . 0.0 110.953 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.47 ' OD1' HG22 ' A' ' 62' ' ' VAL . 9.6 m-80 -152.63 174.84 13.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -128.08 24.02 6.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.045 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 95.39 -29.13 10.01 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.617 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.8 m -117.65 135.92 53.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.759 0.314 . . . . 0.0 110.966 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.47 HG22 ' OD1' ' A' ' 58' ' ' ASN . 30.4 t -128.35 122.48 57.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.059 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 65.79 -102.24 0.68 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.46 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -127.41 28.08 4.59 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.498 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.4 t -133.46 132.05 57.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.84 0.352 . . . . 0.0 111.128 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 -105.24 123.21 47.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -99.78 -37.81 8.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.821 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.444 ' CG ' ' HD3' ' A' ' 34' ' ' ARG . 13.3 p90 -174.59 170.58 3.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 29.4 mt -110.59 115.65 50.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.084 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 31.5 p -142.66 160.36 53.96 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.948 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.78 169.09 0.9 Allowed 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.527 2.152 . . . . 0.0 112.108 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_endo -61.06 125.73 17.77 Favored 'Trans proline' 0 C--N 1.343 0.261 0 C-N-CA 122.549 2.166 . . . . 0.0 112.172 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.1 mttp 60.59 87.6 0.09 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -162.94 -43.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -67.86 131.55 28.52 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.485 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.5 tp -138.75 123.34 18.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.927 0.394 . . . . 0.0 110.928 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -104.31 102.35 12.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.462 ' O ' HG22 ' A' ' 47' ' ' VAL . . . -118.98 179.32 4.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.8 m -88.41 155.27 19.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.745 HG11 ' HB2' ' A' ' 11' ' ' MET . 10.6 m -59.76 -36.36 65.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.021 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.96 -25.44 66.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.083 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.6 mmmt -96.94 32.98 1.99 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.009 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.46 HG23 HD23 ' A' ' 25' ' ' LEU . 25.8 mt -148.22 155.33 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.111 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.423 ' N ' HG22 ' A' ' 83' ' ' ILE . 8.5 t -133.02 159.57 39.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -67.44 132.5 47.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.162 179.988 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.194 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.2 t 60.38 91.85 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.886 0.374 . . . . 0.0 110.941 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 p -157.6 172.06 19.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.04 84.1 0.17 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.511 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -119.33 116.66 26.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.864 0.364 . . . . 0.0 110.844 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.4 m -113.76 -37.68 4.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.982 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.9 103.4 0.71 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.528 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 126.74 43.98 0.25 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.486 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 26.0 m-20 -103.93 34.28 3.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.727 0.299 . . . . 0.0 110.9 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.0 tp -100.14 -28.35 13.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.008 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -75.19 -60.3 2.36 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.074 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.579 HD22 ' HB3' ' A' ' 17' ' ' LEU . 18.3 mt -58.71 -40.11 82.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.051 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 60.5 p -58.46 -38.6 77.87 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.974 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.59 -33.0 62.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.138 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.9 mt -74.71 -49.08 22.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.919 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 119.14 37.06 0.83 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.468 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.579 ' HB3' HD22 ' A' ' 12' ' ' LEU . 13.0 tp -137.58 159.63 41.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.786 0.327 . . . . 0.0 110.933 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 3.2 mtm180 -129.81 174.47 9.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.441 HD22 ' O ' ' A' ' 34' ' ' ARG . 96.2 mt -76.64 152.42 35.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.915 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 95.72 -38.52 3.09 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.517 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -66.8 160.86 25.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.792 0.329 . . . . 0.0 110.857 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.0 mtt180 -99.45 157.74 16.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.2 m -136.12 164.57 31.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.139 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.482 HD12 HG22 ' A' ' 30' ' ' THR . 7.9 tp -96.98 114.43 26.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.811 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 80.9 mt -87.07 116.42 25.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.908 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 60.79 27.45 17.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.98 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.4 ' HA2' HD23 ' A' ' 24' ' ' LEU . . . 57.44 30.91 62.35 Favored Glycine 0 C--N 1.331 0.263 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.485 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -146.57 -69.68 0.25 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.83 0.348 . . . . 0.0 110.861 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.2 163.96 21.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.482 HG22 HD12 ' A' ' 24' ' ' LEU . 62.9 p -133.57 137.34 45.45 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.893 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -145.57 169.38 27.12 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.507 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.5 m -104.51 131.79 51.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.808 0.337 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.468 HD21 HD11 ' A' ' 12' ' ' LEU . 8.5 tp -71.73 140.55 49.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.902 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.441 ' O ' HD22 ' A' ' 19' ' ' LEU . 0.7 OUTLIER -139.77 -47.96 0.46 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.838 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 81.7 t80 -110.79 150.47 29.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.835 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 30.4 p -158.74 121.18 3.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.895 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 144.25 -140.68 9.54 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.502 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 29.4 p -87.9 -177.2 5.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.817 0.341 . . . . 0.0 110.909 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -134.83 170.45 15.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -107.0 -45.55 4.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.926 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -72.48 -26.82 61.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.989 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -126.27 -168.7 1.9 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.972 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 38.6 p -129.72 176.42 8.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.865 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 81.53 -148.59 27.93 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.528 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -115.46 127.39 55.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.831 0.348 . . . . 0.0 110.923 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 57.7 m95 -134.59 175.28 9.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.525 HG22 ' O ' ' A' ' 78' ' ' ALA . 29.6 m -152.44 141.63 14.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.18 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -94.74 122.15 7.06 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.458 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.411 HG22 HD12 ' A' ' 33' ' ' LEU . 21.4 t -125.19 135.65 63.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.792 0.33 . . . . 0.0 111.222 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.7 tt0 -95.72 126.76 41.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.657 HD12 ' HA2' ' A' ' 56' ' ' GLY . 79.5 mt -71.87 124.11 24.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.946 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -65.25 -58.1 6.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -62.0 164.78 9.57 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -69.98 72.4 1.55 Allowed 'Trans proline' 0 C--N 1.343 0.279 0 C-N-CA 122.53 2.153 . . . . 0.0 112.278 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -154.06 169.67 22.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.657 ' HA2' HD12 ' A' ' 51' ' ' LEU . . . 149.6 -169.94 29.8 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.565 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.3 ttmm -139.59 -58.88 0.57 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.772 0.32 . . . . 0.0 110.936 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -101.54 158.37 16.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.942 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.06 39.57 1.18 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 61.6 28.33 69.58 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.465 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -144.48 119.59 10.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.776 0.322 . . . . 0.0 110.918 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.5 t -124.67 110.76 25.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.104 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 59.49 -118.78 15.48 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.509 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -100.77 26.19 25.55 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.531 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 30.3 t -128.57 133.01 67.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.886 0.374 . . . . 0.0 111.055 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -115.74 135.43 54.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -113.36 -38.32 4.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 24.0 p90 -177.13 150.71 0.76 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.5 mp -98.79 99.11 8.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.108 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 30.8 p -113.54 160.32 32.14 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.17 178.4 0.04 OUTLIER 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.636 2.224 . . . . 0.0 112.329 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.26 105.9 0.13 Allowed 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.652 2.235 . . . . 0.0 112.337 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? 59.44 85.96 0.1 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.981 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -152.08 27.31 0.61 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.934 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -139.73 133.97 6.37 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.51 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.3 tt -140.05 133.06 29.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.815 0.34 . . . . 0.0 110.944 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 64.9 m-85 -103.4 136.73 42.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.525 ' O ' HG22 ' A' ' 47' ' ' VAL . . . -154.63 166.02 34.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.058 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -78.48 146.9 34.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.922 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.449 ' HA ' HD12 ' A' ' 83' ' ' ILE . 17.9 m -58.28 -30.56 40.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.133 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.2 t -63.62 -28.99 70.29 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.995 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -98.09 30.68 2.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.973 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.449 HD12 ' HA ' ' A' ' 80' ' ' VAL . 37.9 mt -139.92 152.64 22.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.049 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.2 m -129.32 156.97 43.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.951 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -80.46 111.85 17.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.903 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -83.95 -177.84 6.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.077 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.6 t 64.06 133.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.113 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 60.48 92.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.852 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -112.15 30.23 7.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.107 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 22.7 t -118.29 115.13 24.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.816 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 173.24 -138.84 4.84 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.491 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -50.15 133.88 36.15 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.495 2.13 . . . . 0.0 112.407 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 33.7 t -165.2 146.02 7.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.929 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 m -152.09 -47.19 0.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.973 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.101 0 CA-C-O 118.315 -1.269 . . . . 0.0 112.509 -179.982 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.168 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.8 m -126.39 -46.09 1.64 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.808 0.337 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -102.18 -68.39 0.83 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.851 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.79 -68.8 3.48 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.501 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -111.62 134.73 52.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.857 0.36 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.0 m -94.29 132.81 38.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.93 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -179.32 -86.08 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.487 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -66.34 -99.75 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.529 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -153.24 174.73 13.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.855 0.36 . . . . 0.0 110.942 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.2 tp -81.9 -32.54 30.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.863 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.46 ' SD ' HG21 ' A' ' 80' ' ' VAL . 0.0 OUTLIER -88.29 -43.53 11.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.891 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.577 HD22 ' O ' ' A' ' 17' ' ' LEU . 14.9 mt -59.79 -31.43 69.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.3 p -68.16 -37.53 81.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.937 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.68 -33.68 74.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.135 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.411 HD11 HG11 ' A' ' 80' ' ' VAL . 29.3 mt -87.94 -34.27 18.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.908 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.14 41.69 17.24 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.509 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.577 ' O ' HD22 ' A' ' 12' ' ' LEU . 6.8 tp -124.99 155.21 40.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.782 0.325 . . . . 0.0 110.902 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.3 mtt-85 -114.05 150.12 34.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 19.3 mt -60.27 148.84 35.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.36 -36.57 4.32 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.452 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -69.46 152.01 45.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.838 0.351 . . . . 0.0 110.885 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.445 ' HB2' HG23 ' A' ' 87' ' ' VAL . 3.1 mpp_? -79.94 162.54 24.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.931 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.3 m -147.42 148.31 16.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.16 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 24' ' ' LEU . 7.9 tp -84.81 119.27 25.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.626 HD21 HG11 ' A' ' 49' ' ' VAL . 17.2 mt -102.54 126.37 49.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 3.2 t0 59.26 22.68 11.0 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.1 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 54.03 52.93 40.06 Favored Glycine 0 CA--C 1.518 0.277 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.689 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -176.75 -47.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.78 0.324 . . . . 0.0 110.96 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.0 mttt -82.27 160.2 22.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 47.4 p -128.23 123.95 35.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.89 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -135.41 179.07 18.1 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.51 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.9 m -115.61 144.63 43.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.822 0.344 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.536 HD21 ' SG ' ' A' ' 36' ' ' CYS . 12.3 tp -80.03 120.52 24.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.423 ' HD3' ' CG ' ' A' ' 68' ' ' PHE . 4.6 mtp180 -118.45 -45.28 2.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.02 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 39.5 t80 -128.34 146.18 50.85 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.536 ' SG ' HD21 ' A' ' 33' ' ' LEU . 62.3 m -151.21 123.04 8.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.969 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 158.02 -134.22 3.8 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.516 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.0 p -117.66 -175.86 2.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.865 0.364 . . . . 0.0 110.869 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 16.9 p -119.68 178.83 4.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.948 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -113.11 -36.31 5.11 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.475 ' CZ ' HG11 ' A' ' 62' ' ' VAL . 26.3 p90 -72.24 -30.33 64.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.94 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -134.79 173.38 11.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.078 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 83.1 p -112.4 138.77 48.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.959 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 141.7 -166.18 26.28 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.478 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -112.73 121.35 44.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.824 0.345 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 37.0 m95 -131.68 164.85 25.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.857 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.607 HG22 ' O ' ' A' ' 78' ' ' ALA . 11.7 m -148.36 131.59 7.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.164 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -86.93 122.35 6.11 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.452 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.626 HG11 HD21 ' A' ' 25' ' ' LEU . 29.2 t -127.4 130.68 70.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.797 0.332 . . . . 0.0 111.12 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -88.31 121.05 30.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.902 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 16.4 mt -71.59 139.13 49.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.92 -67.73 0.41 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -71.97 164.07 61.75 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.836 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -66.94 80.22 0.36 Allowed 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.52 2.147 . . . . 0.0 112.289 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -144.58 161.94 37.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 127.55 -154.5 19.64 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.545 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.73 -46.88 0.1 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.804 0.335 . . . . 0.0 110.893 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 75.4 m-80 -90.58 150.87 21.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.948 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -98.75 35.78 1.79 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 84.44 28.57 32.61 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.544 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -149.03 158.11 43.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.794 0.33 . . . . 0.0 110.87 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.475 HG11 ' CZ ' ' A' ' 41' ' ' PHE . 21.5 t -144.85 101.66 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.174 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 65.44 -102.7 0.7 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.478 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -117.99 28.82 6.8 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.505 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.5 t -135.75 116.61 18.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.765 0.317 . . . . 0.0 111.098 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -101.36 140.63 35.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.411 ' CD1' ' N ' ' A' ' 67' ' ' TYR . 4.9 m-85 -118.05 -40.79 2.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.867 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.423 ' CG ' ' HD3' ' A' ' 34' ' ' ARG . 25.8 p90 -158.12 -178.74 7.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.947 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.9 mp -131.43 118.4 39.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.055 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 31.8 p -131.03 160.54 66.39 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.946 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_exo -52.0 177.89 0.04 OUTLIER 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.491 2.127 . . . . 0.0 112.356 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -52.36 107.18 0.17 Allowed 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.534 2.156 . . . . 0.0 112.353 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 9.6 mtmt 59.74 86.48 0.09 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.005 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -158.08 29.97 0.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.991 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -144.94 140.93 9.5 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.431 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 3.0 tp -148.41 129.67 14.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.811 0.339 . . . . 0.0 111.006 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 72.5 m-85 -101.15 116.04 31.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.607 ' O ' HG22 ' A' ' 47' ' ' VAL . . . -132.17 177.21 7.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.188 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -83.73 148.55 27.0 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.46 HG21 ' SD ' ' A' ' 11' ' ' MET . 17.0 m -60.22 -28.95 42.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.234 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 8.1 t -64.02 -29.23 70.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.947 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 16.5 mttm -97.84 28.84 3.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.046 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.493 HD12 HG21 ' A' ' 47' ' ' VAL . 24.6 mt -148.94 146.16 17.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.102 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -134.77 175.51 9.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.51 132.39 41.82 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -103.88 -174.27 2.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.11 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.541 ' O ' HG12 ' A' ' 87' ' ' VAL . 21.8 t 66.04 47.19 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 61.3 172.89 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -114.47 162.87 16.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.072 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -74.22 158.51 33.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.964 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -130.97 -150.09 6.68 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.493 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -69.16 127.85 15.68 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.56 2.173 . . . . 0.0 112.314 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.9 t -61.06 162.85 6.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.75 34.82 1.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.393 -1.226 . . . . 0.0 112.552 -179.966 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.11 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m -147.92 31.39 0.86 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.84 0.352 . . . . 0.0 110.896 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 60.22 -179.55 0.1 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.967 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.525 ' O ' HD21 ' A' ' 10' ' ' LEU . . . -158.14 123.43 1.26 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.449 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -132.73 173.98 10.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.781 0.324 . . . . 0.0 110.92 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -170.33 -66.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -95.12 -78.09 1.4 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.449 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -178.07 -38.5 0.06 OUTLIER Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.487 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.525 ' OD1' HD12 ' A' ' 12' ' ' LEU . 74.8 m-80 -69.46 73.02 0.34 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.839 0.352 . . . . 0.0 110.865 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.525 HD21 ' O ' ' A' ' 4' ' ' GLY . 0.2 OUTLIER -76.43 -56.41 4.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.504 ' HB3' HG11 ' A' ' 80' ' ' VAL . 6.2 mtm -80.31 -35.25 35.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.525 HD12 ' OD1' ' A' ' 9' ' ' ASN . 32.9 mt -61.07 -37.66 83.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.884 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 78.9 p -61.75 -41.15 97.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.939 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -76.54 -39.41 52.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.051 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 31.1 mt -68.23 -55.45 12.2 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.91 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 109.65 34.32 2.47 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.486 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 tp -139.67 162.62 34.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.826 0.346 . . . . 0.0 110.942 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.74 164.14 13.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.821 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.485 HD22 ' O ' ' A' ' 34' ' ' ARG . 16.3 mt -65.91 151.65 46.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.26 -37.5 3.43 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.537 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.33 151.28 28.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.871 0.367 . . . . 0.0 110.802 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 11.2 mtm-85 -86.91 153.37 21.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 13.3 m -137.45 174.44 11.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.047 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.518 HD23 ' HA2' ' A' ' 27' ' ' GLY . 12.0 tp -112.94 110.01 19.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.585 HD12 HD23 ' A' ' 51' ' ' LEU . 35.3 mt -83.07 128.85 34.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.92 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 60.0 26.47 15.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.015 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.518 ' HA2' HD23 ' A' ' 24' ' ' LEU . . . 55.95 31.28 58.39 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.793 -0.717 . . . . 0.0 112.556 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -153.94 -67.27 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.831 0.348 . . . . 0.0 110.96 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.01 159.48 9.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.945 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -119.72 133.38 55.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.848 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -145.45 157.57 27.39 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.559 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.3 m -107.8 128.93 55.03 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.893 0.378 . . . . 0.0 110.869 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.55 HD11 ' HB ' ' A' ' 47' ' ' VAL . 19.4 tp -72.87 143.87 47.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.876 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.485 ' O ' HD22 ' A' ' 19' ' ' LEU . 10.3 mtp180 -136.46 -48.05 0.64 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.905 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.44 ' CD1' ' N ' ' A' ' 36' ' ' CYS . 61.8 t80 -121.88 161.04 23.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.952 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.44 ' N ' ' CD1' ' A' ' 35' ' ' PHE . 29.8 p -154.42 132.71 11.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.978 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 142.44 -158.12 26.83 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.476 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 21.0 p -89.23 158.46 17.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.838 0.352 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 73.2 p -113.17 174.51 5.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.822 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -83.19 -49.21 9.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.95 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 17.3 p90 -62.95 -31.59 72.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -136.98 139.15 41.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.073 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 37.2 m -104.48 105.24 15.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 170.63 -146.78 10.0 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.523 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.04 114.43 25.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.866 0.365 . . . . 0.0 110.856 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 87.0 m95 -144.01 142.5 30.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.915 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.55 ' HB ' HD11 ' A' ' 33' ' ' LEU . 16.0 m -139.56 128.98 29.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.173 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -77.87 128.3 8.76 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.439 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 18.9 t -137.78 134.21 45.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.884 0.374 . . . . 0.0 111.149 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -93.21 116.67 29.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.9 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.585 HD23 HD12 ' A' ' 25' ' ' LEU . 19.1 mt -65.3 140.71 58.72 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.35 -44.17 65.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.75 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -68.07 159.76 78.18 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.811 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -70.88 61.4 2.34 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.599 2.199 . . . . 0.0 112.349 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -142.55 148.88 38.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.811 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 171.76 -168.88 42.01 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.637 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.9 mttp -149.09 -45.9 0.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.771 0.319 . . . . 0.0 110.935 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 62.2 m-20 -98.41 147.32 24.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.963 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 35.3 m-20 -103.03 30.56 4.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.912 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 97.06 -29.88 9.95 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.516 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 21.5 m -109.04 126.61 53.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.806 0.336 . . . . 0.0 110.964 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.7 t -134.8 125.25 45.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.069 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 59.0 25.86 60.15 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.557 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.02 -33.08 5.81 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.545 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.5 t -70.78 127.42 32.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.851 0.358 . . . . 0.0 111.172 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -93.32 146.5 23.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 10.9 m-85 -131.69 -46.48 0.96 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.415 ' CG ' ' HD3' ' A' ' 34' ' ' ARG . 11.7 p90 -161.88 -177.55 5.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.7 mp -129.57 108.38 16.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 30.5 p -128.83 160.3 63.93 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.3 168.99 0.34 Allowed 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.554 2.169 . . . . 0.0 112.242 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.18 117.66 3.82 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.584 2.19 . . . . 0.0 112.305 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.6 mtpt 60.23 105.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.835 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -177.86 -38.34 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.97 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -69.97 116.97 7.13 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.458 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.443 HD13 HD11 ' A' ' 51' ' ' LEU . 9.5 tt -133.07 127.05 33.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.817 0.341 . . . . 0.0 110.924 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -95.67 128.57 42.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.903 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -138.97 151.51 46.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.044 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 58.6 m -67.52 145.8 54.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.917 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.504 HG11 ' HB3' ' A' ' 11' ' ' MET . 22.2 m -57.71 -29.31 34.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.209 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.1 m -59.55 -30.39 68.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.998 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 6.8 mttp -103.0 36.79 2.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.948 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 37.0 mt -147.36 137.71 17.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.108 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.71 135.4 52.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.85 128.34 36.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.885 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -66.56 -178.27 0.67 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.162 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 14.0 p -58.66 137.2 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.211 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -89.04 117.35 27.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -100.16 -69.44 0.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.015 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -72.04 133.94 45.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 142.8 -87.92 0.18 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.489 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.12 169.58 0.28 Allowed 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.628 2.219 . . . . 0.0 112.317 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 67.9 p -171.2 -44.53 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.963 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 24.7 m -78.81 159.56 27.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.89 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.383 -1.231 . . . . 0.0 112.491 179.964 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.236 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t -98.87 31.61 2.91 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.832 0.348 . . . . 0.0 110.922 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m -137.91 31.39 2.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.889 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 160.27 -118.48 0.83 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.533 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.2 t -140.83 88.21 2.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.829 0.347 . . . . 0.0 110.853 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m 61.24 155.19 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.959 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.45 -68.19 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.484 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -72.37 -53.94 8.29 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.505 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -96.01 81.59 3.41 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 110.94 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -86.32 -63.77 1.26 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.93 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 5.6 mmt -82.86 -30.17 28.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.958 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.848 HD21 HD21 ' A' ' 33' ' ' LEU . 49.5 mt -58.8 -45.32 90.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.942 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.5 t -63.65 -47.16 82.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.906 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.68 -33.4 72.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.17 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.472 HD11 HG11 ' A' ' 80' ' ' VAL . 22.3 mt -77.01 -42.06 40.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.95 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 101.04 43.34 2.24 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.471 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.637 HD23 HD22 ' A' ' 33' ' ' LEU . 8.0 tp -137.45 156.49 48.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.897 0.379 . . . . 0.0 110.925 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -119.96 156.9 29.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.756 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.575 HD22 ' O ' ' A' ' 34' ' ' ARG . 44.9 mt -77.91 130.19 36.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.932 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 115.54 -32.0 5.91 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.527 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -72.1 153.75 41.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.84 0.353 . . . . 0.0 110.931 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.58 173.42 2.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 15.5 m -153.98 142.5 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.164 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.414 HD21 ' HA2' ' A' ' 27' ' ' GLY . 35.1 tp -91.55 114.93 27.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.839 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.551 HD23 HG23 ' A' ' 83' ' ' ILE . 14.8 mt -104.6 117.4 34.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.984 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 58.49 26.45 14.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.15 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.414 ' HA2' HD21 ' A' ' 24' ' ' LEU . . . 55.45 24.33 38.02 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.63 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.4 mm100 -146.26 -59.55 0.31 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.838 0.352 . . . . 0.0 110.848 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.73 123.69 23.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.912 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -103.06 118.75 37.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.887 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -129.07 -169.62 12.61 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.529 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -130.86 126.09 35.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.801 0.334 . . . . 0.0 110.91 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.848 HD21 HD21 ' A' ' 12' ' ' LEU . 28.3 tp -62.36 138.87 58.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.575 ' O ' HD22 ' A' ' 19' ' ' LEU . 1.6 mmp_? -132.46 -46.6 0.9 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -129.97 159.4 36.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.714 ' HA ' HG12 ' A' ' 47' ' ' VAL . 52.4 t -156.62 145.97 20.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 125.36 -135.53 9.34 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.496 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -100.18 173.2 6.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.843 0.354 . . . . 0.0 110.861 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -132.3 -178.17 4.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -109.0 -33.86 6.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 14.7 p90 -85.43 -29.64 24.19 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.022 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -123.05 119.79 31.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.062 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.76 108.3 10.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 150.59 -161.46 28.99 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.543 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -96.29 127.21 42.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.875 0.369 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 68.5 m95 -145.57 161.89 38.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.968 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.714 HG12 ' HA ' ' A' ' 36' ' ' CYS . 3.8 m -141.62 130.09 22.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.095 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -77.77 121.49 5.79 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.41 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.5 t -128.94 146.25 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.852 0.358 . . . . 0.0 111.11 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.3 tt0 -103.45 132.4 49.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.869 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.518 HD12 ' O ' ' A' ' 55' ' ' GLU . 82.9 mt -79.71 114.71 18.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.948 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -60.29 -36.64 78.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.906 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -75.41 160.37 79.87 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -69.47 63.53 1.63 Allowed 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.557 2.171 . . . . 0.0 112.287 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.518 ' O ' HD12 ' A' ' 51' ' ' LEU . 45.1 mt-10 -150.87 135.17 16.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.889 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 178.55 166.27 34.47 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.516 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.6 mttm -124.08 -55.25 1.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.849 0.357 . . . . 0.0 110.912 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 81.2 m-20 -86.94 148.56 25.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.944 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -100.47 29.41 4.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 95.05 -38.31 3.16 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.547 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.6 p -95.57 133.01 40.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.784 0.326 . . . . 0.0 110.934 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.7 t -149.46 132.66 7.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.105 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 59.75 23.56 58.91 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.602 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 95.83 -31.17 7.49 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.604 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.8 t -78.84 151.74 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.807 0.337 . . . . 0.0 111.101 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 43.9 ttp180 -124.72 134.3 52.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 37.4 m-85 -112.28 -37.87 4.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 47.6 p90 -163.83 178.63 7.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.912 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 19.4 mt -126.97 114.61 38.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.085 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 30.6 p -127.1 160.31 60.29 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_exo -52.04 178.18 0.04 OUTLIER 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.695 2.263 . . . . 0.0 112.295 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_exo -52.29 103.26 0.08 OUTLIER 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.652 2.235 . . . . 0.0 112.323 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.96 81.2 0.18 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -152.66 29.2 0.53 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.956 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -133.95 143.37 15.03 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.1 tp -153.51 139.64 18.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.824 0.345 . . . . 0.0 110.966 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 19.3 m-85 -106.38 135.03 48.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.839 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.524 ' HB3' HD11 ' A' ' 83' ' ' ILE . . . -140.92 176.46 8.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.133 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -90.93 155.03 19.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.472 HG11 HD11 ' A' ' 15' ' ' LEU . 7.1 m -58.46 -31.44 43.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.257 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.2 -29.21 69.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.925 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -97.32 25.9 5.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.055 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.585 HD12 ' CG2' ' A' ' 47' ' ' VAL . 30.7 mt -149.79 155.67 7.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.117 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.442 ' N ' HG22 ' A' ' 83' ' ' ILE . 0.1 OUTLIER -150.25 174.48 12.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.77 118.02 14.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.891 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -71.86 102.65 2.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.5 t -106.09 109.56 28.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.083 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -134.28 175.37 9.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -80.53 153.21 28.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.036 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 2.8 p -159.09 114.88 2.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.92 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 101.5 74.85 1.09 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.659 -0.782 . . . . 0.0 112.504 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -53.26 -33.18 64.1 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.554 2.17 . . . . 0.0 112.331 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.62 67.55 1.02 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 57.5 m 59.19 31.1 20.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.085 0 CA-C-O 118.359 -1.245 . . . . 0.0 112.54 -179.967 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.195 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 79.7 p -104.66 160.34 15.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.767 0.318 . . . . 0.0 110.934 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.8 m -95.7 92.71 6.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.09 59.46 4.94 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.549 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.6 t -165.4 -44.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.738 0.304 . . . . 0.0 110.939 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.5 p -143.56 -173.38 3.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.51 153.72 20.33 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.508 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -78.61 171.8 55.16 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.505 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.8 m120 60.72 31.17 20.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.818 0.342 . . . . 0.0 110.937 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 18.1 tp -82.74 -32.0 28.11 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.918 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -94.04 -39.07 10.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.916 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.0 mt -59.77 -46.88 87.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.944 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 53.7 p -65.48 -31.82 73.1 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.902 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.04 -52.94 29.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.064 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 56.2 mt -74.88 -43.47 54.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 97.93 33.63 5.72 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.551 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.5 tp -109.78 144.19 38.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.797 0.332 . . . . 0.0 110.863 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.04 163.11 12.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.906 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 35.7 mt -85.93 111.19 20.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.907 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 132.24 -28.28 3.49 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.558 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -69.95 163.75 25.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.789 0.328 . . . . 0.0 110.93 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.4 161.93 17.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.3 m -145.5 169.0 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.878 ' HB2' ' HB2' ' A' ' 86' ' ' ALA . 8.4 tp -108.85 123.5 49.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.969 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.594 HD12 HD23 ' A' ' 51' ' ' LEU . 42.2 mt -98.86 126.19 44.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.829 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 62.19 26.86 16.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 56.95 27.3 56.66 Favored Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.639 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.9 mm-40 -151.17 -70.2 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.784 0.326 . . . . 0.0 110.851 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.92 153.82 20.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -114.72 145.56 41.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -155.85 159.52 29.35 Favored Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.461 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 m -100.58 134.43 43.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.759 0.314 . . . . 0.0 110.941 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.8 tp -72.15 141.71 49.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -130.04 -46.0 1.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -138.07 150.58 47.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.68 ' HA ' HG12 ' A' ' 47' ' ' VAL . 52.5 t -147.11 140.87 25.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 134.2 -131.44 5.96 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.561 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.3 p -110.9 136.13 50.39 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.824 0.345 . . . . 0.0 110.911 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.421 HG21 ' CE1' ' A' ' 41' ' ' PHE . 2.0 p -96.67 -179.89 4.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.821 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.1 mt-10 -100.12 -44.53 5.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.421 ' CE1' HG21 ' A' ' 39' ' ' THR . 52.0 p90 -62.0 -31.44 71.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -135.51 152.22 51.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.142 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.64 122.56 46.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.946 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 138.91 -161.46 25.88 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.526 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -77.63 116.73 18.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.839 0.352 . . . . 0.0 110.947 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 92.3 m95 -142.76 146.49 34.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.68 HG12 ' HA ' ' A' ' 36' ' ' CYS . 4.8 m -143.51 136.99 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.129 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -87.8 115.67 4.4 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.489 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 25.8 t -120.69 146.29 25.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.833 0.349 . . . . 0.0 111.093 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -104.58 109.87 21.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.594 HD23 HD12 ' A' ' 25' ' ' LEU . 38.1 mt -60.01 133.32 55.99 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.93 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -59.48 -53.26 60.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -66.88 153.6 93.82 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -69.4 63.54 1.59 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.506 2.137 . . . . 0.0 112.264 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -147.34 149.61 33.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.883 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 167.39 -143.23 8.09 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.588 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.439 ' HE3' HD12 ' A' ' 76' ' ' LEU . 0.3 OUTLIER -160.67 -46.31 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.717 0.294 . . . . 0.0 110.903 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 67.5 m-80 -92.56 136.76 32.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.918 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.4 p-10 -99.5 31.34 3.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 80.12 28.4 49.59 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.493 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -155.98 125.31 6.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.824 0.345 . . . . 0.0 110.922 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.4 t -135.3 114.09 16.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.153 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 59.65 31.15 70.37 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.515 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.58 -29.04 10.98 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.468 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.5 t -74.37 113.54 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.833 0.349 . . . . 0.0 111.166 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.6 ttm-85 -88.66 127.7 35.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 10.4 m-85 -102.48 -31.4 10.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.914 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 12.9 p90 -174.43 178.92 1.89 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 28.9 mt -115.33 102.35 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.171 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 28.9 p -124.15 154.82 68.47 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.851 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_endo -61.75 176.47 1.3 Allowed 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.526 2.151 . . . . 0.0 112.2 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_exo -50.75 112.27 0.73 Allowed 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 122.536 2.157 . . . . 0.0 112.434 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt 60.55 110.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.07 -40.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 179.882 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -65.34 131.4 35.41 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.557 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.531 HD22 HD11 ' A' ' 51' ' ' LEU . 17.1 tp -135.99 131.26 34.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.887 0.375 . . . . 0.0 110.849 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -110.75 124.27 51.67 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.94 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.478 ' HB3' HD11 ' A' ' 83' ' ' ILE . . . -146.49 172.24 13.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.161 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.4 m -81.3 143.64 32.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.8 m -59.02 -29.2 40.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.176 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 3.5 m -58.66 -30.42 67.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.909 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.9 mttm -103.79 31.04 4.68 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.855 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.478 HD11 ' HB3' ' A' ' 78' ' ' ALA . 31.2 mt -148.01 140.03 18.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.111 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 63.8 p -118.57 179.08 4.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.1 ptmt -100.6 77.27 1.89 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.846 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.878 ' HB2' ' HB2' ' A' ' 24' ' ' LEU . . . -63.0 144.78 56.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.195 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.9 t -128.17 84.69 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.107 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 61.95 94.02 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.852 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.97 -58.52 7.57 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.063 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 37.0 p -77.64 99.84 5.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 162.96 101.55 0.16 Allowed Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.463 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 41.8 Cg_endo -67.51 178.24 3.36 Favored 'Trans proline' 0 C--N 1.344 0.309 0 C-N-CA 122.47 2.114 . . . . 0.0 112.306 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 30.1 t -80.81 156.44 26.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.906 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.4 t -146.18 163.99 33.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.354 -1.248 . . . . 0.0 112.506 -179.972 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.194 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.4 m -98.08 36.51 1.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.815 0.341 . . . . 0.0 110.943 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -60.78 -32.13 71.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.936 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.24 -135.01 0.33 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.536 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 t -117.02 167.87 10.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.814 0.34 . . . . 0.0 110.888 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.9 t -141.36 31.89 1.71 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.942 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.732 ' HA3' HD11 ' A' ' 19' ' ' LEU . . . 81.62 -69.26 3.33 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.557 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 100.74 -163.14 18.53 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.463 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 16.8 m-20 -163.21 31.32 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.81 0.338 . . . . 0.0 110.945 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.3 tp -84.44 -58.08 2.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.865 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.01 -29.6 19.36 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.918 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.7 mt -58.91 -53.31 59.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.995 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 81.4 p -60.56 -33.66 73.03 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -68.26 -53.49 24.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.065 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 18.4 mt -64.57 -51.26 63.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.941 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.09 43.72 0.77 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.502 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.45 HD23 HD22 ' A' ' 33' ' ' LEU . 11.7 tp -139.97 162.98 33.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.803 0.335 . . . . 0.0 110.873 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.7 mtt180 -125.14 160.57 28.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.002 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.732 HD11 ' HA3' ' A' ' 7' ' ' GLY . 93.8 mt -65.11 135.59 55.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.78 19.7 36.39 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.696 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -108.62 158.59 17.45 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.876 0.37 . . . . 0.0 110.781 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.07 148.43 26.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 31.2 m -137.85 159.35 33.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.114 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.8 tp -101.68 117.97 35.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.427 HD21 HG11 ' A' ' 49' ' ' VAL . 88.9 mt -96.66 111.79 23.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.91 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.7 t70 59.51 28.8 18.28 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.002 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 57.42 50.86 61.46 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.572 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.3 -73.74 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.763 0.316 . . . . 0.0 110.868 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.42 158.89 30.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.96 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -130.67 126.43 36.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.434 ' HA3' HG12 ' A' ' 49' ' ' VAL . . . -131.1 172.14 20.78 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.541 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.1 m -107.77 114.59 28.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.787 0.327 . . . . 0.0 110.832 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.45 HD22 HD23 ' A' ' 17' ' ' LEU . 9.2 tp -62.59 107.77 1.01 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.89 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.689 ' O ' HD22 ' A' ' 19' ' ' LEU . 1.6 mmp_? -96.46 -31.78 12.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.905 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 76.2 t80 -137.64 162.72 33.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.573 ' HA ' HG12 ' A' ' 47' ' ' VAL . 9.1 t -158.59 129.35 6.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.926 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 140.96 -132.21 5.28 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.472 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 30.4 p -104.48 172.86 6.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.842 0.353 . . . . 0.0 110.883 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.721 HG21 ' CZ ' ' A' ' 41' ' ' PHE . 1.0 OUTLIER -135.17 170.83 15.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.854 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -90.96 -46.12 8.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.833 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.721 ' CZ ' HG21 ' A' ' 39' ' ' THR . 22.6 p90 -60.24 -31.54 70.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.927 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.93 110.52 6.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.047 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.13 95.52 2.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 178.88 -152.68 11.49 Favored Glycine 0 N--CA 1.452 -0.233 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.475 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -89.7 109.98 20.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.789 0.328 . . . . 0.0 110.903 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 92.1 m95 -141.75 153.2 44.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.573 HG12 ' HA ' ' A' ' 36' ' ' CYS . 31.0 m -144.17 139.86 24.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.152 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -83.07 116.84 4.28 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.481 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.434 HG12 ' HA3' ' A' ' 31' ' ' GLY . 21.5 t -122.15 126.01 73.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.8 0.333 . . . . 0.0 111.13 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -92.91 113.88 26.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.919 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 mt -63.16 127.74 32.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -63.57 -35.16 79.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.921 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -72.66 155.01 91.3 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.31 62.89 2.73 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.549 2.166 . . . . 0.0 112.302 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -159.78 150.0 18.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.851 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 177.34 -174.34 46.9 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.469 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -140.33 35.85 1.88 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.856 0.36 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -175.91 141.13 0.46 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -98.73 32.85 2.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.818 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 78.82 27.51 56.53 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.497 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 42.4 t -159.99 147.04 16.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.777 0.322 . . . . 0.0 110.944 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.4 t -133.87 106.91 9.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.098 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 62.18 -101.85 0.41 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.515 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -116.7 28.49 7.39 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.478 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.6 t -136.02 139.06 46.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.849 0.357 . . . . 0.0 111.054 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.3 ttm-85 -120.32 136.19 54.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.43 ' N ' ' CD1' ' A' ' 67' ' ' TYR . 3.6 m-85 -111.71 -34.19 6.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.427 ' CD2' ' HD3' ' A' ' 34' ' ' ARG . 24.2 p90 -168.81 -179.13 3.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.952 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 1.6 pt -118.04 129.87 73.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.087 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 30.3 p -156.56 161.8 28.8 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -56.05 169.35 1.47 Allowed 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.647 2.232 . . . . 0.0 112.136 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -63.76 123.09 11.41 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.538 2.159 . . . . 0.0 112.195 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.3 mttp 62.34 89.37 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.872 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -165.86 -43.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.845 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -78.99 144.52 27.54 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.486 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.537 HD23 ' N ' ' A' ' 77' ' ' PHE . 0.9 OUTLIER -153.32 146.76 24.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.802 0.334 . . . . 0.0 110.948 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.537 ' N ' HD23 ' A' ' 76' ' ' LEU . 16.6 m-85 -109.33 146.76 33.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -155.98 176.16 13.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.095 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 2.7 m -88.15 143.43 27.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 15.5 m -57.67 -29.18 33.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.247 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 16.2 m -59.79 -30.67 69.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.972 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.4 mtpt -103.04 30.15 5.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.984 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.422 HG22 ' N ' ' A' ' 84' ' ' SER . 41.8 mt -141.77 154.4 19.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.074 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.422 ' N ' HG22 ' A' ' 83' ' ' ILE . 0.3 OUTLIER -129.96 180.0 5.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.936 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 11.1 tttm -97.28 38.91 1.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.837 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . 59.6 167.56 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.136 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 6.3 m -101.48 169.75 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.209 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -154.66 132.39 11.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.829 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -166.31 -43.54 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.159 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.53 33.93 3.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 63.84 171.51 2.11 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.5 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.24 -177.8 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.556 2.171 . . . . 0.0 112.303 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 5.8 m -97.51 -69.25 0.76 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -65.17 92.37 0.11 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.418 -1.212 . . . . 0.0 112.58 179.984 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.18 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.6 m -136.18 33.06 2.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.798 0.332 . . . . 0.0 110.961 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -128.93 -60.67 1.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.87 -124.03 2.28 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.523 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.1 m -76.53 136.64 39.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.792 0.329 . . . . 0.0 110.893 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -147.03 160.68 42.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.951 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.65 -162.41 21.87 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.547 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 91.49 -162.45 28.06 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.449 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -70.02 148.3 49.01 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.854 0.359 . . . . 0.0 110.883 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.12 -33.94 11.33 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.899 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.0 mmt -60.12 -43.09 95.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.921 HD21 HD21 ' A' ' 33' ' ' LEU . 25.9 mt -62.72 -53.52 53.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.4 m -60.79 -32.48 71.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.99 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.35 -36.23 83.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.158 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.5 mt -84.05 -53.4 5.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.945 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 125.42 41.55 0.35 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.506 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 7.0 tp -146.2 158.32 43.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.783 0.325 . . . . 0.0 110.866 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -118.59 168.63 10.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.664 HD22 ' O ' ' A' ' 34' ' ' ARG . 55.7 mt -73.53 152.25 40.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.985 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.35 -42.38 2.08 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.433 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.59 175.37 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.826 0.346 . . . . 0.0 110.87 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -107.18 161.45 14.76 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.864 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.8 m -132.9 162.68 39.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.115 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.3 tp -107.4 120.5 42.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.929 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.535 HD11 HG11 ' A' ' 49' ' ' VAL . 64.3 mt -96.07 118.38 32.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.94 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.9 t0 61.09 28.32 18.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 57.31 39.04 89.67 Favored Glycine 0 N--CA 1.453 -0.208 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.529 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -155.99 -72.69 0.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.831 0.348 . . . . 0.0 110.985 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.19 150.64 29.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -121.6 129.66 52.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -132.13 166.47 23.23 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.487 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.7 m -110.65 111.09 22.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.86 0.362 . . . . 0.0 110.928 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.921 HD21 HD21 ' A' ' 12' ' ' LEU . 59.9 tp -60.18 147.29 40.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.932 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.664 ' O ' HD22 ' A' ' 19' ' ' LEU . 0.0 OUTLIER -145.77 -47.48 0.21 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -119.91 150.7 40.05 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.904 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.483 ' SG ' HG12 ' A' ' 47' ' ' VAL . 48.4 t -153.57 150.12 28.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.87 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 115.37 -157.98 14.66 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.8 -0.715 . . . . 0.0 112.518 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.1 p -80.88 173.06 12.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.872 0.368 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 17.4 p -134.25 169.21 17.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.903 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -74.9 -44.41 48.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.933 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.419 ' CD1' ' N ' ' A' ' 42' ' ' ALA . 40.4 p90 -63.37 -38.61 91.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.815 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.419 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . -144.77 144.18 31.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.106 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -104.85 98.05 7.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -166.18 -124.41 0.71 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.487 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -119.82 112.79 19.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.863 0.363 . . . . 0.0 110.857 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 72.5 m95 -143.59 146.92 33.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.483 HG12 ' SG ' ' A' ' 36' ' ' CYS . 29.5 m -145.6 135.2 17.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.183 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -75.36 123.22 7.12 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.546 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.535 HG11 HD11 ' A' ' 25' ' ' LEU . 26.2 t -122.89 127.12 74.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.853 0.359 . . . . 0.0 111.091 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -104.86 105.32 15.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 57.0 mt -59.98 127.55 32.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -65.34 -39.5 92.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.91 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.47 160.42 79.61 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.855 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.97 62.71 2.47 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.605 2.204 . . . . 0.0 112.244 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -143.23 154.21 43.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 160.14 -134.69 3.75 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.472 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.0 tttt -176.42 -40.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.79 0.329 . . . . 0.0 110.921 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 71.8 m-20 -110.08 157.67 19.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.65 27.75 4.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.028 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 95.84 -27.88 14.61 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.51 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.1 t -107.15 142.58 36.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.854 0.359 . . . . 0.0 110.932 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.6 t -137.05 123.58 28.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.117 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 65.28 -119.74 15.47 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.455 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -110.02 28.3 10.67 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.541 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.6 t -147.13 139.88 19.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.79 0.328 . . . . 0.0 111.08 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.3 ttm180 -120.21 143.7 48.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.948 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 -107.33 -31.12 8.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 30.6 p90 -173.23 -178.16 1.68 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.941 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 10.3 pt -115.44 140.2 38.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.18 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 31.5 p -155.92 153.03 25.02 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.974 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -52.6 176.28 0.07 OUTLIER 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.659 2.239 . . . . 0.0 112.314 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.24 110.06 0.41 Allowed 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.634 2.222 . . . . 0.0 112.233 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.3 mttt 60.86 111.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -177.1 -39.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.957 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -59.43 124.63 37.04 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.498 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.9 tp -138.26 114.85 10.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.786 0.327 . . . . 0.0 110.897 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -99.13 140.37 33.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.913 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.542 ' HB3' HD11 ' A' ' 83' ' ' ILE . . . -157.57 -179.98 8.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.17 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.73 147.49 25.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 31.1 m -57.69 -34.09 46.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.226 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 59.8 m -64.35 -28.14 69.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.082 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 78.0 mttt -97.76 28.97 3.57 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.084 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.542 HD11 ' HB3' ' A' ' 78' ' ' ALA . 30.6 mt -150.59 153.22 10.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.884 0.373 . . . . 0.0 111.152 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 17.1 m -113.32 171.3 7.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.83 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 3.7 pttt -99.99 47.61 0.94 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.969 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . 58.71 90.9 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.123 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 5.6 m -116.07 140.87 36.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.159 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -85.27 165.12 17.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.954 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -108.9 76.87 1.03 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.106 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.5 m -100.41 130.04 46.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -115.26 83.68 0.34 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.469 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_exo -52.35 -59.7 0.99 Allowed 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.585 2.19 . . . . 0.0 112.274 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 39.5 p -96.48 -56.04 2.73 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.877 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 64.0 m -110.3 179.2 4.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.094 0 CA-C-O 118.366 -1.241 . . . . 0.0 112.525 -179.969 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.312 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 60.36 167.02 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.811 0.339 . . . . 0.0 110.916 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -166.65 129.82 1.91 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.96 -83.97 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.463 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.3 m 60.39 174.51 0.09 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.753 0.311 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.8 p -131.83 31.31 4.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.84 -139.15 7.56 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.461 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 94.65 -110.53 4.02 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.539 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -78.85 168.11 20.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.761 0.315 . . . . 0.0 110.897 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -100.02 -39.05 8.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.976 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.469 ' HE2' ' HA2' ' A' ' 37' ' ' GLY . 3.1 mpp? -97.48 -55.45 2.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.95 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.573 HD21 HD21 ' A' ' 33' ' ' LEU . 21.5 mt -59.19 -29.8 67.74 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.957 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -81.13 -31.39 34.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.956 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.63 -32.16 70.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.183 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.5 mt -94.35 -58.95 2.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 123.89 40.38 0.45 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.54 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.424 HD21 ' CG1' ' A' ' 23' ' ' VAL . 26.2 tp -128.64 161.96 28.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.838 0.352 . . . . 0.0 110.961 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.1 ttt85 -127.45 161.05 29.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.861 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.565 HD22 ' O ' ' A' ' 34' ' ' ARG . 4.8 mt -76.84 151.01 36.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.841 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.63 -29.8 9.84 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.735 . . . . 0.0 112.432 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -75.06 168.95 18.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.792 0.33 . . . . 0.0 110.886 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -93.42 149.81 20.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.51 ' C ' ' HB2' ' A' ' 86' ' ' ALA . 10.5 m -130.74 168.84 22.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.055 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 24' ' ' LEU . 5.8 tp -115.08 104.97 12.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.871 -179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.83 HD21 HG11 ' A' ' 49' ' ' VAL . 32.1 mt -81.86 125.62 30.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.945 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 60.08 26.54 15.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.033 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 55.47 43.43 85.32 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.716 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -166.65 -67.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.796 0.331 . . . . 0.0 110.927 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -59.94 134.82 57.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.15 123.43 43.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.853 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -133.45 177.28 19.12 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.536 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 60.1 m -125.29 125.03 42.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.815 0.34 . . . . 0.0 110.913 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.573 HD21 HD21 ' A' ' 12' ' ' LEU . 35.8 tp -67.22 140.11 57.4 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.888 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.565 ' O ' HD22 ' A' ' 19' ' ' LEU . 3.0 mtp85 -131.56 -52.88 1.01 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.965 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.432 ' CD2' ' N ' ' A' ' 36' ' ' CYS . 54.8 t80 -109.39 163.32 13.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.491 ' SG ' HD21 ' A' ' 19' ' ' LEU . 23.2 p -155.36 116.49 3.95 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.469 ' HA2' ' HE2' ' A' ' 11' ' ' MET . . . 140.19 -148.85 20.43 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.475 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 47.5 p -85.24 -178.27 6.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.804 0.335 . . . . 0.0 110.89 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.4 p -129.66 177.4 7.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.891 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -93.55 -43.42 8.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.941 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 52.4 p90 -70.05 -31.59 69.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -135.24 -179.61 5.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.116 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -133.63 138.8 46.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.932 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 139.45 -156.5 24.66 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.472 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -92.7 106.34 18.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.808 0.337 . . . . 0.0 110.889 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 77.3 m95 -132.4 154.79 49.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.408 ' HB ' HD11 ' A' ' 33' ' ' LEU . 10.7 m -144.17 137.01 23.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.152 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -80.44 123.5 6.09 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.411 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.83 HG11 HD21 ' A' ' 25' ' ' LEU . 21.6 t -129.07 133.29 66.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.867 0.365 . . . . 0.0 111.094 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -105.48 115.44 30.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.941 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.652 HD12 ' O ' ' A' ' 74' ' ' GLN . 1.2 mp -73.21 138.47 45.64 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.947 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -65.09 -48.88 72.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -65.5 151.65 93.96 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.869 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -72.02 62.24 3.24 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.544 2.162 . . . . 0.0 112.268 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.442 ' O ' HD13 ' A' ' 51' ' ' LEU . 53.3 mt-10 -155.71 100.53 2.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -129.78 -113.51 1.64 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.499 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -176.63 -47.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.791 0.329 . . . . 0.0 110.867 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.433 ' OD1' HG22 ' A' ' 62' ' ' VAL . 24.7 m-80 -111.56 158.78 18.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.924 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 70.6 m-20 -98.42 30.53 3.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.921 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.426 ' HA2' ' CE1' ' A' ' 68' ' ' PHE . . . 96.26 -27.77 15.66 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.526 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -109.14 142.88 39.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.866 0.365 . . . . 0.0 110.84 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.433 HG22 ' OD1' ' A' ' 58' ' ' ASN . 21.4 t -142.07 117.25 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.16 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 64.02 27.09 70.85 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.569 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 99.4 -28.02 17.39 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.549 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.5 t -79.85 118.87 28.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.81 0.338 . . . . 0.0 111.102 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 35.9 ttp180 -94.29 117.47 30.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -92.72 -30.91 15.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.907 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.44 ' CG ' ' HD3' ' A' ' 34' ' ' ARG . 15.5 p90 -174.18 179.87 1.79 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.965 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.9 mp -121.78 124.19 70.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.081 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.4 ' HB2' ' HD2' ' A' ' 71' ' ' PRO . 31.5 p -152.25 160.98 30.59 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.944 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.4 ' HD2' ' HB2' ' A' ' 70' ' ' CYS . 76.2 Cg_exo -49.81 167.45 0.2 Allowed 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.541 2.161 . . . . 0.0 112.255 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_endo -58.22 122.55 11.87 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.606 2.204 . . . . 0.0 112.235 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.58 91.97 0.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.84 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.652 ' O ' HD12 ' A' ' 51' ' ' LEU . 5.9 tt0 -162.67 -44.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.975 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -72.31 130.25 15.65 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.499 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.2 tp -135.69 120.97 19.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.804 0.335 . . . . 0.0 110.889 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -99.85 117.28 33.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.927 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -138.46 170.85 15.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.079 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.8 m -80.86 150.46 29.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.91 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 23.0 m -59.8 -26.04 34.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.241 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 84.4 p -56.18 -31.47 63.45 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.008 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 9.5 mttt -107.17 30.61 6.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.812 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.551 HG23 HD23 ' A' ' 25' ' ' LEU . 30.4 mt -142.17 145.1 24.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.066 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.1 m -138.27 177.83 7.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.987 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -78.32 134.38 37.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.87 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.51 ' HB2' ' C ' ' A' ' 23' ' ' VAL . . . -79.46 174.8 11.21 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.131 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.5 t -101.48 118.54 48.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.104 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -110.98 121.3 45.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.971 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -121.37 -42.76 2.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.11 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -58.67 112.81 1.75 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.946 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -167.2 -95.12 0.1 Allowed Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.529 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -72.83 -169.35 0.48 Allowed 'Trans proline' 0 C--N 1.344 0.321 0 C-N-CA 122.539 2.159 . . . . 0.0 112.251 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.9 p -72.95 -41.48 64.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -162.12 -63.67 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.954 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.083 0 CA-C-O 118.314 -1.27 . . . . 0.0 112.477 -179.97 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.191 0 N-CA-C 112.489 -0.244 . . . . 0.0 112.489 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.3 m -77.84 -56.76 4.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.819 0.343 . . . . 0.0 110.886 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.8 t -172.13 113.68 0.31 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.866 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.41 147.22 7.16 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.457 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.5 m -148.83 100.06 3.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.827 0.346 . . . . 0.0 110.978 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.6 p -108.28 30.68 6.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.953 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.91 59.73 0.43 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.525 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 175.25 -34.51 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.549 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -58.54 98.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.818 0.342 . . . . 0.0 110.937 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.98 -55.51 2.96 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.917 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 2.1 tpt -89.16 -36.28 15.77 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.964 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.3 mt -59.11 -31.26 68.77 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.959 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.1 m -70.43 -51.4 29.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.41 -32.68 72.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.068 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.0 mt -74.95 -65.05 0.92 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.925 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 128.63 43.01 0.23 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.867 -0.683 . . . . 0.0 112.485 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.697 HD23 HD22 ' A' ' 33' ' ' LEU . 2.4 tp -148.62 154.34 39.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.754 0.312 . . . . 0.0 110.913 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.42 153.22 31.46 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.916 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.71 HD22 ' O ' ' A' ' 34' ' ' ARG . 28.4 mt -59.97 131.33 50.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.906 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.72 -24.12 33.19 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.588 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -59.92 152.35 23.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.774 0.321 . . . . 0.0 110.86 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.1 ttm-85 -72.4 145.48 47.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.975 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.443 HG22 ' O ' ' A' ' 31' ' ' GLY . 16.0 m -135.77 141.33 42.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.043 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.484 ' HB2' ' HB2' ' A' ' 86' ' ' ALA . 11.9 tp -100.68 117.5 34.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.84 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.562 HD11 HG11 ' A' ' 49' ' ' VAL . 15.6 mt -102.28 135.53 43.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 59.52 24.97 13.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.027 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 55.45 38.45 70.03 Favored Glycine 0 C--N 1.33 0.246 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.673 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 3.3 mm-40 -168.32 -59.2 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.791 0.329 . . . . 0.0 110.904 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.01 138.95 57.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.877 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -105.32 118.99 37.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.919 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.443 ' O ' HG22 ' A' ' 23' ' ' VAL . . . -121.85 158.37 16.56 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.552 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -114.6 117.35 30.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.786 0.327 . . . . 0.0 110.965 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.697 HD22 HD23 ' A' ' 17' ' ' LEU . 46.1 tp -60.23 150.92 28.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.91 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.71 ' O ' HD22 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -142.67 -56.14 0.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.874 -179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.426 ' CD2' ' CD1' ' A' ' 67' ' ' TYR . 71.7 t80 -125.38 162.16 25.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.957 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.422 ' SG ' HG12 ' A' ' 47' ' ' VAL . 52.5 t -153.51 154.69 34.82 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.794 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 125.54 -145.45 15.71 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.486 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.6 p -103.31 154.19 19.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.839 0.352 . . . . 0.0 110.834 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 20.1 p -104.42 179.06 4.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.908 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -100.46 -46.68 5.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.912 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 26.1 p90 -62.99 -31.66 72.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.808 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -134.4 171.59 14.08 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.14 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 22.2 t -119.47 140.37 50.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.898 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 139.12 -151.09 21.62 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.481 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.82 108.41 16.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.759 0.314 . . . . 0.0 110.873 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 42.5 m95 -120.38 165.08 15.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.429 HG11 ' CG1' ' A' ' 80' ' ' VAL . 29.4 m -151.79 134.89 7.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.15 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -74.97 116.06 4.9 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.481 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.562 HG11 HD11 ' A' ' 25' ' ' LEU . 21.4 t -121.83 120.45 61.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.814 0.34 . . . . 0.0 111.156 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -93.98 115.12 27.43 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.869 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.519 HD12 ' O ' ' A' ' 55' ' ' GLU . 46.1 mt -71.02 128.54 36.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.847 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -60.37 -43.04 96.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -77.37 163.47 64.18 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.944 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 78.93 0.96 Allowed 'Trans proline' 0 C--N 1.345 0.351 0 C-N-CA 122.55 2.167 . . . . 0.0 112.258 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.519 ' O ' HD12 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -159.99 138.84 10.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.831 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 171.92 169.05 34.26 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.505 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.8 ttmm -115.42 -36.01 4.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.813 0.339 . . . . 0.0 111.013 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.0 m-80 -106.81 167.84 9.59 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.993 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -117.41 28.88 8.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.946 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.432 ' HA2' ' CE2' ' A' ' 68' ' ' PHE . . . 95.99 -33.22 5.71 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.535 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 14.5 m -114.58 142.59 46.23 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.864 0.364 . . . . 0.0 110.894 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.416 HG21 ' CE2' ' A' ' 77' ' ' PHE . 21.6 t -135.22 110.88 12.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.131 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 62.06 -116.47 9.41 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.488 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -108.88 28.41 11.33 Favored Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.5 t -133.4 133.12 57.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.874 0.368 . . . . 0.0 111.107 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.41 128.9 56.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.922 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.426 ' CD1' ' CD2' ' A' ' 35' ' ' PHE . 43.1 m-85 -114.88 -38.41 3.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.432 ' CE2' ' HA2' ' A' ' 60' ' ' GLY . 22.8 p90 -166.43 -178.09 4.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.906 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 21.4 mt -125.82 125.88 69.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.112 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 27.9 p -146.65 147.46 30.35 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.9 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.19 172.56 0.19 Allowed 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.495 2.13 . . . . 0.0 112.373 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -52.57 118.85 5.09 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.594 2.196 . . . . 0.0 112.262 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.9 mtmm 60.06 99.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -171.78 -41.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.926 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -81.79 128.24 8.36 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.608 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 7.9 tt -133.36 120.66 21.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.889 0.376 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.416 ' CE2' HG21 ' A' ' 62' ' ' VAL . 90.2 m-85 -82.74 109.95 17.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.956 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.486 ' HB3' HD11 ' A' ' 83' ' ' ILE . . . -122.8 177.59 5.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.099 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 34.9 m -99.87 137.95 37.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.429 ' CG1' HG11 ' A' ' 47' ' ' VAL . 12.9 m -54.94 -29.95 22.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.276 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.7 m -65.45 -28.52 69.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.037 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -103.32 28.48 6.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.2 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.502 HG23 HD23 ' A' ' 25' ' ' LEU . 48.9 mt -139.35 153.83 24.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.045 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.417 ' N ' HG22 ' A' ' 83' ' ' ILE . 72.2 p -131.36 179.96 5.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.896 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.7 mttt -90.61 130.91 36.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.484 ' HB2' ' HB2' ' A' ' 24' ' ' LEU . . . -108.7 41.87 1.51 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.135 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.575 ' O ' HG12 ' A' ' 87' ' ' VAL . 17.4 t -100.63 36.67 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.064 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -169.13 -53.64 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . 60.52 32.14 20.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.027 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 48.1 t -124.96 -69.08 0.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.941 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -150.87 -156.44 7.36 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.465 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 55.3 Cg_endo -69.86 106.76 1.74 Allowed 'Trans proline' 0 C--N 1.344 0.338 0 C-N-CA 122.494 2.129 . . . . 0.0 112.34 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.3 m -149.6 136.52 19.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.948 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 13.3 p -169.14 139.82 2.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.392 -1.227 . . . . 0.0 112.469 179.975 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.196 0 N-CA-C 112.542 -0.223 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 t -72.65 165.48 24.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.834 0.349 . . . . 0.0 110.872 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.5 m -120.8 142.07 49.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.28 134.07 2.01 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.519 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.5 m 60.51 90.79 0.06 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.779 0.323 . . . . 0.0 110.837 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -70.47 160.51 32.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.25 -155.06 1.31 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.478 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 95.55 31.92 7.22 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.52 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 14.3 m-20 -61.98 110.9 1.71 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.829 0.347 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.574 HD12 ' N ' ' A' ' 11' ' ' MET . 4.2 pp -99.97 -41.03 7.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.574 ' N ' HD12 ' A' ' 10' ' ' LEU . 0.6 OUTLIER -100.04 -37.47 8.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.815 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.627 HD21 ' CD2' ' A' ' 19' ' ' LEU . 6.0 mt -65.65 -31.18 72.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.857 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 13.9 t -84.97 -32.3 23.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.886 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -69.85 -32.99 71.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.186 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.791 ' CD1' HG11 ' A' ' 80' ' ' VAL . 60.1 mt -86.01 -49.47 7.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.1 38.44 1.14 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.5 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.736 HD23 HD22 ' A' ' 33' ' ' LEU . 7.9 tp -149.39 152.41 35.71 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.754 0.311 . . . . 0.0 110.896 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.56 ' O ' HD23 ' A' ' 33' ' ' LEU . 5.7 mtt180 -112.43 166.03 11.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.934 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.627 ' CD2' HD21 ' A' ' 12' ' ' LEU . 14.2 mt -76.65 143.39 40.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.018 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.73 -28.2 14.56 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.474 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.25 180.0 0.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.843 0.354 . . . . 0.0 110.843 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -98.81 145.33 27.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.861 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.411 ' C ' ' HB2' ' A' ' 86' ' ' ALA . 5.7 m -140.58 148.23 22.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.111 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.534 HD23 ' HA2' ' A' ' 27' ' ' GLY . 12.3 tp -104.33 118.41 36.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.885 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.657 HD23 HG23 ' A' ' 83' ' ' ILE . 76.4 mt -89.9 123.03 33.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.91 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 59.05 23.15 11.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.534 ' HA2' HD23 ' A' ' 24' ' ' LEU . . . 54.32 52.51 43.92 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.834 -0.698 . . . . 0.0 112.675 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -167.54 -50.32 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.833 0.349 . . . . 0.0 110.874 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.79 133.17 34.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.912 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -95.32 116.91 29.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.867 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -121.25 160.42 15.59 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.52 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -108.19 119.44 39.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.794 0.331 . . . . 0.0 110.885 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.736 HD22 HD23 ' A' ' 17' ' ' LEU . 15.8 tp -60.29 138.63 57.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.865 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -128.69 -51.08 1.25 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.822 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 49.4 t80 -125.22 156.97 37.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.547 ' SG ' HG12 ' A' ' 47' ' ' VAL . 31.0 t -158.8 143.04 15.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.971 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 126.87 -140.56 12.01 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.468 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -96.11 163.54 13.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.843 0.354 . . . . 0.0 110.849 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 30.3 p -113.33 160.81 17.97 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -87.09 -43.63 12.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 31.0 p90 -66.1 -35.04 79.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.9 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -135.56 -176.65 4.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.123 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.5 t -123.96 161.74 24.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 122.8 -139.36 12.39 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.456 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.7 109.03 8.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.787 0.327 . . . . 0.0 110.89 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 70.0 m95 -124.48 165.52 17.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.857 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.547 HG12 ' SG ' ' A' ' 36' ' ' CYS . 13.4 m -151.11 130.02 3.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -79.66 127.3 7.9 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.48 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.519 HG21 HD21 ' A' ' 25' ' ' LEU . 22.1 t -126.65 139.42 51.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.841 0.353 . . . . 0.0 111.065 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -107.78 100.25 9.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.855 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.423 HD21 HD12 ' A' ' 25' ' ' LEU . 15.0 mt -60.04 136.54 58.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -67.38 -51.87 46.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.867 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -65.15 164.0 26.46 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.873 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.66 62.94 2.3 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.579 2.186 . . . . 0.0 112.219 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -143.79 140.82 30.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.951 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 179.29 -156.71 19.11 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.535 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.9 mmmt -150.23 -50.04 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.813 0.34 . . . . 0.0 110.964 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -114.78 159.82 20.14 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.971 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -104.34 33.71 3.4 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.919 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 74.0 23.88 75.18 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.492 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.97 111.35 6.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.768 0.318 . . . . 0.0 110.79 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 20.5 t -128.08 129.41 69.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.193 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 59.21 -108.82 1.78 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.53 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -125.64 28.52 4.95 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.456 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.5 t -137.38 130.78 43.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.872 0.368 . . . . 0.0 111.128 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -105.77 122.09 45.37 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -92.35 -31.58 15.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.983 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 29.1 p90 -176.47 174.28 1.94 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 -179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.572 ' N ' HD12 ' A' ' 69' ' ' ILE . 3.4 mp -118.65 119.98 62.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.112 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 24.2 p -140.45 156.65 69.44 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.841 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.17 167.28 0.53 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.559 2.173 . . . . 0.0 112.292 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -53.11 118.46 4.84 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.643 2.229 . . . . 0.0 112.332 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.27 104.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.992 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -176.83 -39.93 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.2 118.04 4.61 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.463 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 43.6 tp -123.35 128.16 49.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.827 0.346 . . . . 0.0 110.884 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 48.7 m-85 -97.36 117.55 31.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.404 ' O ' HG22 ' A' ' 47' ' ' VAL . . . -135.05 167.73 20.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.115 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 m -75.76 147.48 39.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.87 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.791 HG11 ' CD1' ' A' ' 15' ' ' LEU . 11.4 m -59.55 -30.71 45.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.213 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 19.3 m -60.46 -29.83 69.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.954 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 7.0 mtmp? -98.37 31.06 2.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.657 HG23 HD23 ' A' ' 25' ' ' LEU . 28.6 mt -148.18 153.44 11.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.045 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 89.0 p -132.81 150.06 52.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.938 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.478 ' HG2' HD13 ' A' ' 17' ' ' LEU . 4.8 mtmt -60.38 131.12 49.79 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.519 ' HB2' ' N ' ' A' ' 24' ' ' LEU . . . -99.52 54.69 0.96 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.031 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.564 ' O ' HG12 ' A' ' 87' ' ' VAL . 13.6 t -119.07 30.73 2.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.092 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 59.13 177.02 0.07 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -145.46 81.45 1.62 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.074 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 16.2 m -81.0 -34.21 33.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.957 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 151.5 94.63 0.11 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.556 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -68.51 65.41 1.16 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.546 2.164 . . . . 0.0 112.218 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 71.3 m -128.22 89.41 2.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.931 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 58.8 m -102.17 121.34 42.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.841 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.993 0 CA-C-O 118.421 -1.211 . . . . 0.0 112.55 -179.96 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.232 0 N-CA-C 112.564 -0.214 . . . . 0.0 112.564 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.5 p -123.8 -43.99 2.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.751 0.31 . . . . 0.0 110.866 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.0 m -119.28 31.92 6.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.936 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.73 -105.92 0.3 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.475 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -102.15 148.23 25.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.834 0.35 . . . . 0.0 110.867 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -84.41 177.68 8.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.895 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.75 156.97 24.41 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.485 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 81.35 70.04 1.36 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.458 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.594 HD22 HD11 ' A' ' 19' ' ' LEU . 22.1 m-80 -110.35 107.71 17.52 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.83 0.348 . . . . 0.0 110.95 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.4 tp -59.93 -31.27 69.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.94 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 61.9 mtp -59.2 -60.57 3.65 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.931 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.607 HD22 ' HB3' ' A' ' 17' ' ' LEU . 56.3 mt -68.9 -29.81 68.17 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.94 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.6 t -58.33 -48.84 79.26 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.934 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -70.6 -44.06 68.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.129 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 21.9 mt -64.63 -31.21 72.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.904 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.74 29.54 10.62 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.488 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.607 ' HB3' HD22 ' A' ' 12' ' ' LEU . 17.1 tp -113.5 163.78 14.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.796 0.332 . . . . 0.0 110.914 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.1 mtt85 -121.57 167.9 12.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.887 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.594 HD11 HD22 ' A' ' 9' ' ' ASN . 9.1 mt -93.07 142.19 27.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.6 -28.42 13.46 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.492 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.67 179.98 0.96 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.814 0.34 . . . . 0.0 110.933 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.64 157.38 15.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.84 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 17.1 m -138.25 163.83 28.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.083 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.8 tp -114.66 117.51 31.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.008 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.502 HD12 ' CD2' ' A' ' 51' ' ' LEU . 54.7 mt -95.89 130.43 42.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 16.9 t70 60.73 25.73 15.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.019 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 55.45 45.97 82.15 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.681 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -170.72 -64.76 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.798 0.332 . . . . 0.0 110.947 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.02 150.01 30.45 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.946 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 77.5 p -116.5 133.96 55.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -139.39 171.42 23.72 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.49 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.2 m -117.29 120.55 38.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.805 0.336 . . . . 0.0 110.947 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.655 HD11 ' HB ' ' A' ' 47' ' ' VAL . 19.3 tp -75.47 140.14 42.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.906 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 9.4 mtp180 -133.55 -46.67 0.81 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.441 ' CD1' ' N ' ' A' ' 36' ' ' CYS . 59.9 t80 -115.85 160.24 20.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.441 ' N ' ' CD1' ' A' ' 35' ' ' PHE . 53.0 t -160.01 154.51 23.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.895 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 114.32 -153.41 17.63 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.494 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 67.3 p -90.71 151.58 21.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.812 0.339 . . . . 0.0 110.929 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.4 p -99.16 -178.53 3.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.818 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -92.15 -56.85 2.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -60.05 -30.31 69.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.968 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -133.39 174.16 10.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.067 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -134.1 150.33 51.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.851 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 130.41 -143.61 14.93 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.473 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.418 ' HB3' HG22 ' A' ' 80' ' ' VAL . 4.9 mp0 -102.11 111.33 23.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.87 0.367 . . . . 0.0 110.857 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 96.6 m95 -135.74 149.66 49.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.655 ' HB ' HD11 ' A' ' 33' ' ' LEU . 12.3 m -147.51 126.89 4.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.133 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.461 ' O ' HD12 ' A' ' 33' ' ' LEU . . . -82.99 123.13 5.97 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.6 t -127.62 138.18 55.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.823 0.344 . . . . 0.0 111.012 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -97.84 118.72 35.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.937 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.502 ' CD2' HD12 ' A' ' 25' ' ' LEU . 89.1 mt -71.64 127.37 32.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.89 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -67.45 -34.2 76.71 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.852 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.09 156.54 85.91 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.85 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.35 63.01 2.13 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.596 2.197 . . . . 0.0 112.27 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -154.58 140.48 18.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -174.59 -129.7 1.21 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.539 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.56 -40.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.889 0.376 . . . . 0.0 110.95 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 26.5 m-20 -115.51 -178.36 3.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.929 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -120.24 29.9 7.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.948 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.43 ' HA2' ' CE2' ' A' ' 68' ' ' PHE . . . 94.21 -41.7 2.57 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.528 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 37.8 p -102.58 139.62 37.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.763 0.316 . . . . 0.0 110.927 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.5 t -127.17 115.91 42.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.041 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 59.64 -121.07 25.46 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.409 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -97.24 24.17 32.54 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.664 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 30.2 t -129.24 135.56 61.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.876 0.37 . . . . 0.0 110.984 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 7.2 ttt180 -117.89 124.61 48.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.933 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.423 ' N ' ' CD1' ' A' ' 67' ' ' TYR . 4.1 m-85 -108.07 -35.53 6.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.971 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.43 ' CE2' ' HA2' ' A' ' 60' ' ' GLY . 24.8 p90 -177.13 175.12 1.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.9 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 12.5 pt -117.07 121.16 67.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.152 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.1 p -138.17 158.66 70.58 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.916 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.47 164.38 1.39 Allowed 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.514 2.142 . . . . 0.0 112.268 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -52.69 117.7 3.96 Favored 'Trans proline' 0 C--N 1.344 0.31 0 C-N-CA 122.603 2.202 . . . . 0.0 112.245 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.6 mmtp 59.95 92.01 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.854 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -168.75 -42.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -73.41 117.59 5.9 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.493 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.04 131.4 34.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.841 0.353 . . . . 0.0 110.919 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -96.13 155.02 16.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.905 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -160.05 161.99 34.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.079 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.7 m -73.41 148.07 43.65 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.829 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.418 HG22 ' HB3' ' A' ' 45' ' ' GLN . 20.8 m -55.55 -30.44 26.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.326 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.8 m -57.8 -26.89 62.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.793 ' O ' HD13 ' A' ' 83' ' ' ILE . 4.5 mmtt -107.66 41.52 1.5 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.025 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.793 HD13 ' O ' ' A' ' 82' ' ' LYS . 22.0 mm -135.57 140.91 43.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.157 179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -125.64 156.61 38.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.752 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 11.3 mttm -77.29 124.77 28.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.897 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -115.32 44.52 1.82 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.057 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 13.5 m -72.42 177.89 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.2 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -80.67 132.88 35.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.915 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -131.71 78.57 1.83 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.134 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.57 130.23 39.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -145.44 -96.69 0.2 Allowed Glycine 0 CA--C 1.52 0.368 0 C-N-CA 120.635 -0.793 . . . . 0.0 112.533 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -61.27 -60.9 0.19 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.529 2.153 . . . . 0.0 112.366 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 78.7 p -130.77 158.71 39.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.965 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 10.6 m -102.49 34.91 2.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.869 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.321 -1.266 . . . . 0.0 112.465 179.913 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.277 0 N-CA-C 112.551 -0.22 . . . . 0.0 112.551 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.8 m 60.46 100.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.772 0.32 . . . . 0.0 110.93 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 p -157.54 97.87 1.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.89 -32.09 0.2 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.537 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.7 t -122.19 -50.95 2.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.83 0.347 . . . . 0.0 110.913 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 60.45 78.96 0.26 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.923 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.68 87.67 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.512 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -92.2 -124.57 3.41 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.469 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -75.29 150.44 38.52 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.864 0.364 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.2 tp -99.99 -31.49 11.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.88 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 57.6 mmm -91.25 -48.45 6.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.942 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.422 HD21 HD21 ' A' ' 33' ' ' LEU . 57.8 mt -59.34 -30.85 68.68 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.974 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.0 p -59.75 -31.38 69.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.905 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.94 -31.65 17.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.095 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.1 mt -71.82 -43.61 65.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.38 37.91 5.77 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.46 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 11.6 tp -139.15 163.16 33.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.788 0.328 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -112.46 160.19 18.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.8 mt -72.65 145.68 47.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.926 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.06 -36.86 3.67 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.484 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -60.18 160.52 8.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.785 0.326 . . . . 0.0 110.961 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.5 mtt180 -79.2 160.69 26.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.896 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.781 ' CG2' HG11 ' A' ' 49' ' ' VAL . 19.3 m -135.35 178.74 4.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.138 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.3 tp -122.55 115.65 22.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.905 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.449 HD12 HD23 ' A' ' 51' ' ' LEU . 40.6 mt -98.02 129.67 44.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.5 t70 60.37 27.21 16.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.968 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 56.07 25.81 47.46 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.696 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 98.3 mt-30 -152.93 -59.97 0.14 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.761 0.315 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.04 157.4 12.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -121.37 144.64 48.55 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.827 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -151.92 -177.68 25.88 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.493 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.554 ' C ' HG13 ' A' ' 49' ' ' VAL . 5.8 m -123.71 121.27 35.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.793 0.33 . . . . 0.0 110.894 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.571 HD12 HG22 ' A' ' 49' ' ' VAL . 21.1 tp -67.55 121.57 16.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.927 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.428 ' HD3' ' CG ' ' A' ' 68' ' ' PHE . 29.2 mtp85 -115.83 -39.15 3.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.868 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -133.06 153.06 51.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.872 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.474 ' SG ' HG12 ' A' ' 47' ' ' VAL . 25.3 t -159.82 137.97 10.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.935 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 130.35 -130.77 6.31 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.87 -0.681 . . . . 0.0 112.52 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -107.43 164.42 12.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.826 0.346 . . . . 0.0 110.837 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.47 ' OG1' ' HB3' ' A' ' 42' ' ' ALA . 7.6 p -122.7 179.85 4.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -92.16 -30.48 15.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -98.81 30.9 3.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.94 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.485 ' HB1' ' HE1' ' A' ' 46' ' ' TRP . . . -170.81 148.22 2.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.122 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.4 m -114.99 36.64 3.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -132.95 -153.4 7.2 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.518 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -97.81 124.27 42.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.867 0.365 . . . . 0.0 110.856 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.485 ' HE1' ' HB1' ' A' ' 42' ' ' ALA . 79.0 m95 -141.11 160.45 40.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.839 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.707 HG21 HG13 ' A' ' 83' ' ' ILE . 19.1 m -151.1 134.93 8.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.131 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.432 ' HA3' ' CE1' ' A' ' 77' ' ' PHE . . . -99.46 122.72 7.67 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.46 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.781 HG11 ' CG2' ' A' ' 23' ' ' VAL . 21.3 t -134.63 136.33 52.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.855 0.36 . . . . 0.0 111.09 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -81.23 126.22 31.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.449 HD23 HD12 ' A' ' 25' ' ' LEU . 11.4 mt -74.68 131.88 41.24 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.949 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -61.16 -35.74 77.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.927 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -93.55 157.49 38.36 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.61 65.43 1.71 Allowed 'Trans proline' 0 C--N 1.344 0.303 0 C-N-CA 122.537 2.158 . . . . 0.0 112.223 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -134.25 155.06 50.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.914 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 141.45 -158.99 26.69 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.472 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.8 tptm -145.67 -47.89 0.22 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.786 0.327 . . . . 0.0 110.937 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 -89.92 153.65 20.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.58 30.03 3.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.798 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 96.32 -31.75 7.12 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.565 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 75.0 p -110.64 146.37 36.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.856 0.36 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.6 t -126.51 106.27 15.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.058 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 62.99 -97.96 0.21 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.477 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -119.27 28.38 6.59 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.5 t -132.82 117.89 31.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.803 0.335 . . . . 0.0 111.133 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.1 ttt180 -99.41 126.15 45.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.92 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -105.0 -33.31 8.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.428 ' CG ' ' HD3' ' A' ' 34' ' ' ARG . 12.4 p90 -177.0 -178.53 0.83 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.942 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 27.8 mt -114.88 117.22 54.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.083 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 16.8 p -140.73 156.15 69.06 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.409 ' CB ' ' HD2' ' A' ' 72' ' ' PRO . 17.1 Cg_endo -57.59 173.24 0.8 Allowed 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.584 2.19 . . . . 0.0 112.084 179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.409 ' HD2' ' CB ' ' A' ' 71' ' ' PRO . 18.8 Cg_endo -58.18 114.85 2.15 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.544 2.163 . . . . 0.0 112.237 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 31.7 mttm 61.83 77.22 0.34 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.988 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -159.2 28.53 0.2 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -139.16 126.45 3.36 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.423 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 10.9 tp -126.17 146.77 49.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.825 0.345 . . . . 0.0 110.93 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.432 ' CE1' ' HA3' ' A' ' 48' ' ' GLY . 93.3 m-85 -127.33 106.53 9.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.81 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.55 ' O ' HG22 ' A' ' 47' ' ' VAL . . . -131.39 176.34 8.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.183 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.0 m -76.38 166.13 23.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 8.3 m -63.26 -29.6 47.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.139 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.33 -30.49 68.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.94 -179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.7 ' O ' HD13 ' A' ' 83' ' ' ILE . 1.7 mtmt -97.79 36.66 1.49 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.96 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.707 HG13 HG21 ' A' ' 47' ' ' VAL . 23.1 mm -140.03 152.45 22.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.114 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.2 m -145.23 160.97 40.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.78 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.46 134.12 37.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.827 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.614 ' HB2' ' C ' ' A' ' 23' ' ' VAL . . . -98.0 34.5 1.91 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.054 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.5 t -144.44 -52.48 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.158 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 64.34 -78.81 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.965 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -79.53 72.18 6.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.071 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 6.7 t -107.21 156.14 19.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.836 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -178.21 155.18 16.3 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.537 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.12 -28.21 32.28 Favored 'Trans proline' 0 C--N 1.344 0.316 0 C-N-CA 122.556 2.171 . . . . 0.0 112.307 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.65 131.73 40.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.834 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 70.7 p -149.13 -57.29 0.2 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.897 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.029 0 CA-C-O 118.349 -1.251 . . . . 0.0 112.509 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.23 0 N-CA-C 112.568 -0.213 . . . . 0.0 112.568 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.8 p -96.62 107.53 19.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.718 0.294 . . . . 0.0 110.946 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -116.38 -66.52 1.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 103.28 -55.33 0.65 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.478 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.6 p -156.84 34.57 0.3 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.767 0.318 . . . . 0.0 110.822 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -115.26 160.92 19.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.9 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.13 161.89 34.25 Favored Glycine 0 N--CA 1.45 -0.418 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.598 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -113.39 -44.73 0.77 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.459 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.603 ' OD1' HD12 ' A' ' 12' ' ' LEU . 2.7 t-20 -88.03 83.22 7.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.851 0.357 . . . . 0.0 110.846 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.502 ' C ' HD12 ' A' ' 10' ' ' LEU . 4.5 pp -87.45 -25.15 23.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.08 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.455 ' N ' HD12 ' A' ' 10' ' ' LEU . 2.0 mpp? -56.49 -59.75 4.53 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.043 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.681 HD22 ' O ' ' A' ' 17' ' ' LEU . 14.2 mt -59.12 -31.84 69.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.4 t -69.58 -46.72 65.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.8 -30.91 59.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.137 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.682 HD21 HG21 ' A' ' 80' ' ' VAL . 5.7 mt -72.66 -59.57 2.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.836 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.28 52.65 0.44 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.699 HD23 HD22 ' A' ' 33' ' ' LEU . 14.5 tp -154.79 160.6 41.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.848 0.356 . . . . 0.0 110.874 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.16 166.28 12.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.85 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.8 mt -79.05 159.13 27.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.915 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.37 22.01 58.01 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.562 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -105.38 157.41 17.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.774 0.321 . . . . 0.0 110.857 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.686 HH21 ' HB1' ' A' ' 86' ' ' ALA . 7.3 ttp180 -82.54 141.7 32.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.946 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.476 ' CG1' HD21 ' A' ' 17' ' ' LEU . 16.8 m -132.15 164.9 33.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.131 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.448 HD12 ' O ' ' A' ' 29' ' ' LYS . 23.9 tp -106.56 110.74 23.02 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.893 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.44 HD12 HD23 ' A' ' 51' ' ' LEU . 65.1 mt -92.32 131.62 37.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.944 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 59.37 25.47 14.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.048 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 55.75 36.49 65.78 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.695 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.33 -51.53 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.853 0.359 . . . . 0.0 110.891 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.448 ' O ' HD12 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -73.29 161.84 30.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.1 p -123.72 143.98 49.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.825 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -142.61 -179.96 19.84 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.459 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.83 110.36 14.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.856 0.36 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.699 HD22 HD23 ' A' ' 17' ' ' LEU . 12.5 tp -60.51 125.05 22.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.424 ' HB2' ' CD2' ' A' ' 68' ' ' PHE . 4.9 mtp85 -121.91 -42.67 2.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.968 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -131.13 154.91 47.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.929 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.572 ' SG ' HG12 ' A' ' 47' ' ' VAL . 42.0 t -155.9 141.92 18.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 127.15 -139.85 11.48 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.533 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.503 HG22 ' H ' ' A' ' 44' ' ' GLY . 0.6 OUTLIER -88.93 162.28 16.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.779 0.323 . . . . 0.0 110.958 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.615 HG21 ' CE2' ' A' ' 41' ' ' PHE . 0.0 OUTLIER -127.62 167.84 15.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.851 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.59 -30.94 26.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.615 ' CE2' HG21 ' A' ' 39' ' ' THR . 53.8 p90 -84.34 -31.0 25.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.93 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -141.65 105.5 4.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.243 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -78.61 117.73 20.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.503 ' H ' HG22 ' A' ' 38' ' ' THR . . . 164.69 -112.21 0.5 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.503 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -130.96 104.09 6.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.778 0.323 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 71.2 m95 -137.85 165.6 26.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.946 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.572 HG12 ' SG ' ' A' ' 36' ' ' CYS . 30.9 m -148.83 131.38 6.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -88.24 115.94 4.49 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.499 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.5 t -122.37 150.67 26.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.85 0.357 . . . . 0.0 111.088 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -105.97 116.46 31.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.882 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.44 HD23 HD12 ' A' ' 25' ' ' LEU . 50.1 mt -62.83 129.73 41.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.922 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -67.37 -34.97 78.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.936 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -86.58 156.24 56.23 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.909 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 26.9 Cg_exo -62.26 75.63 0.1 OUTLIER 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.736 2.291 . . . . 0.0 112.314 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.403 ' O ' HD12 ' A' ' 51' ' ' LEU . 3.3 mt-10 -160.05 141.7 12.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.889 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 174.63 -169.1 42.0 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.557 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.7 mtmm -132.03 -46.43 0.93 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.891 0.377 . . . . 0.0 110.898 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.488 ' OD1' HG22 ' A' ' 62' ' ' VAL . 10.2 m-80 -111.59 167.07 10.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.8 m-20 -108.0 35.41 3.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.852 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 102.37 -47.02 1.18 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.45 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -103.21 133.88 47.56 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.821 0.343 . . . . 0.0 110.889 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.488 HG22 ' OD1' ' A' ' 58' ' ' ASN . 21.5 t -135.51 133.45 52.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.07 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 59.63 27.1 63.32 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.507 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 96.3 -29.6 9.94 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.544 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 28.5 t -73.14 149.6 8.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-O 120.826 0.346 . . . . 0.0 111.074 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.8 ttp180 -125.51 119.22 27.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 -104.58 -32.68 8.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.966 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.424 ' CD2' ' HB2' ' A' ' 34' ' ' ARG . 33.6 p90 -171.61 -177.8 2.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.968 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 27.9 mm -117.68 144.25 26.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.025 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 28.4 p -168.31 151.48 5.5 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.947 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.47 171.34 0.21 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.52 2.147 . . . . 0.0 112.291 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -52.34 117.5 3.69 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.596 2.197 . . . . 0.0 112.247 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 42.2 mttp 60.19 102.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -172.2 -41.67 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.981 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.54 102.49 0.89 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.716 -0.755 . . . . 0.0 112.424 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.9 tp -104.93 127.82 52.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.824 0.345 . . . . 0.0 110.877 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 56.3 m-85 -103.9 122.37 45.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.857 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -141.25 179.55 6.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.135 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.5 m -94.16 146.75 23.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.682 HG21 HD21 ' A' ' 15' ' ' LEU . 16.5 m -57.63 -30.19 36.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.211 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 93.9 p -60.11 -30.22 69.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.025 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.0 mttm -102.08 32.51 3.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.976 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 40.2 mt -146.06 145.02 20.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.167 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 8.7 t -121.77 172.4 8.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.861 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.94 123.36 32.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.938 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.686 ' HB1' HH21 ' A' ' 22' ' ' ARG . . . -73.77 159.06 33.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.03 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 24.7 t -73.83 106.82 3.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -117.44 116.14 26.58 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.951 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -94.12 -54.21 3.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -171.69 35.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.872 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 79.0 92.22 0.35 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.526 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -68.81 107.92 1.78 Allowed 'Trans proline' 0 C--N 1.343 0.287 0 C-N-CA 122.54 2.16 . . . . 0.0 112.314 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.86 135.9 36.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.82 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 12.9 p -97.86 -178.5 4.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.856 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.383 -1.232 . . . . 0.0 112.473 179.989 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.179 0 N-CA-C 112.54 -0.224 . . . . 0.0 112.54 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.3 p 58.61 -176.48 0.08 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.897 0.379 . . . . 0.0 110.921 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 m -84.43 -54.54 4.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 157.82 -59.8 0.34 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.619 -0.8 . . . . 0.0 112.48 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.6 t -115.29 -58.32 2.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.826 0.346 . . . . 0.0 110.89 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.7 t -133.72 -59.73 0.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.36 -133.48 4.75 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.436 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.01 -119.93 5.92 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.434 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -109.52 162.39 14.43 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.796 0.332 . . . . 0.0 110.852 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.9 tp -90.72 -39.85 12.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.973 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.46 ' SD ' HG11 ' A' ' 80' ' ' VAL . 0.0 OUTLIER -75.34 -47.06 29.43 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.721 HD21 HD21 ' A' ' 33' ' ' LEU . 83.8 mt -61.01 -31.86 71.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.94 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 63.5 p -59.78 -30.78 69.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.979 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -85.81 -39.08 17.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.16 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.0 mt -70.04 -30.83 68.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.967 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.01 27.7 33.34 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.446 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.2 tp -123.64 164.72 18.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.837 0.351 . . . . 0.0 110.928 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -125.42 148.76 48.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.773 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.2 mt -58.16 151.64 18.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 100.28 -28.46 15.64 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.483 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -78.26 170.49 16.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.821 0.343 . . . . 0.0 110.862 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -92.27 160.57 15.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 19.3 m -133.94 160.93 41.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 21.8 tp -95.95 121.13 37.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.817 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.62 HD23 HG23 ' A' ' 83' ' ' ILE . 21.5 mt -105.66 113.1 26.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.028 -179.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 56.28 24.16 7.93 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.343 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 54.3 41.2 70.46 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.699 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -155.88 -48.68 0.08 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.823 0.344 . . . . 0.0 110.885 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.45 142.31 29.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.952 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 3.1 p -112.46 134.33 54.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.924 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -132.95 -174.06 13.49 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.461 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.7 m -124.2 122.82 38.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.875 0.369 . . . . 0.0 110.982 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.721 HD21 HD21 ' A' ' 12' ' ' LEU . 21.9 tp -68.33 123.76 21.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.84 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.5 mmp_? -113.12 -58.95 2.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.887 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -117.09 158.8 23.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 42.3 t -154.45 148.43 25.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 122.23 -146.25 16.8 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.512 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -106.42 141.46 37.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.848 0.356 . . . . 0.0 110.949 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 34.9 p -83.89 -178.31 6.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -105.26 -40.68 5.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.973 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -68.45 -31.53 70.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.936 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -131.36 -173.59 3.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.116 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 24.4 p -128.64 143.43 50.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.86 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 129.5 169.72 12.6 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.502 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -79.13 101.42 7.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.751 0.31 . . . . 0.0 110.913 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 96.7 m95 -109.6 153.79 23.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.949 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.534 ' CG2' HD12 ' A' ' 83' ' ' ILE . 16.8 m -143.51 127.09 13.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -80.54 121.91 5.57 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.474 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.522 HG11 HD21 ' A' ' 25' ' ' LEU . 21.6 t -120.69 132.03 71.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.802 0.334 . . . . 0.0 111.133 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -95.65 115.03 26.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 18.5 mt -61.29 115.41 3.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.934 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -60.18 -31.38 70.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.934 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -94.77 161.51 28.42 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.998 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.56 83.73 0.82 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.547 2.164 . . . . 0.0 112.274 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -160.02 173.66 15.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.956 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 115.72 177.24 18.45 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.601 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -139.02 31.46 2.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.783 0.325 . . . . 0.0 110.801 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -145.28 167.98 21.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.852 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -129.48 26.01 5.39 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.031 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 94.34 -24.86 25.35 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.619 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 t -115.08 141.1 48.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.812 0.339 . . . . 0.0 110.978 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.6 t -123.19 113.52 38.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.112 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 63.83 -90.57 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.61 -0.805 . . . . 0.0 112.526 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -129.13 23.03 4.99 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.583 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 27.1 t -128.75 129.61 68.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.833 0.349 . . . . 0.0 110.971 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 34.3 ttm-85 -111.94 134.1 53.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.935 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -115.06 -42.14 3.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.835 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 30.1 p90 -159.22 -177.72 6.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.76 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 15.5 mt -126.19 142.77 41.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.121 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 8.7 p -161.1 160.84 24.52 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -52.6 172.06 0.18 Allowed 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.604 2.203 . . . . 0.0 112.253 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.29 106.26 0.14 Allowed 'Trans proline' 0 C--N 1.345 0.362 0 C-N-CA 122.51 2.14 . . . . 0.0 112.343 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.8 mtpt 60.63 83.62 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.953 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -152.65 28.28 0.55 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.941 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -158.54 149.14 19.18 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.488 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -150.51 149.76 30.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.781 0.324 . . . . 0.0 110.946 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 64.6 m-85 -106.07 123.88 48.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.579 ' HB3' HD11 ' A' ' 83' ' ' ILE . . . -132.54 179.58 6.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -98.17 160.27 14.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.885 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.46 HG11 ' SD ' ' A' ' 11' ' ' MET . 17.3 m -58.35 -34.57 50.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.165 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 31.7 t -67.51 -27.13 66.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.956 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -96.27 22.95 7.1 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.135 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.62 HG23 HD23 ' A' ' 25' ' ' LEU . 28.3 mt -150.72 156.47 6.47 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.033 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.449 ' N ' HG22 ' A' ' 83' ' ' ILE . 1.5 m -135.22 141.23 45.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.853 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -60.35 123.0 15.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -84.38 96.88 9.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.044 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 27.9 t -65.85 94.81 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.043 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -134.94 -46.9 0.72 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.879 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -109.06 90.25 3.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.078 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.93 -49.19 68.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.875 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -162.4 -176.8 34.86 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.554 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.17 -34.89 60.72 Favored 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.588 2.192 . . . . 0.0 112.326 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.61 136.3 6.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -120.82 94.31 4.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.344 -1.253 . . . . 0.0 112.497 -179.967 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.153 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.4 t -132.03 151.31 51.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.785 0.326 . . . . 0.0 110.941 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -165.55 133.79 3.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.828 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.9 26.12 16.64 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.538 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 p -161.72 29.68 0.13 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.736 0.303 . . . . 0.0 110.936 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.0 t -179.65 72.49 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.829 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.14 -37.4 1.66 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.492 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -144.53 179.68 21.58 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.471 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -134.02 107.03 7.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.823 0.344 . . . . 0.0 110.965 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.1 tp -98.53 -48.23 5.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.933 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.67 ' HE1' HG13 ' A' ' 80' ' ' VAL . 0.0 OUTLIER -60.21 -42.34 94.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 47.7 mt -73.35 -37.01 66.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.877 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.4 m -64.5 -39.08 93.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.03 -50.69 65.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.101 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.681 HD11 HG11 ' A' ' 80' ' ' VAL . 14.5 mt -64.07 -67.16 0.45 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.934 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 131.63 43.42 0.17 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.49 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.525 HD13 ' HG2' ' A' ' 85' ' ' LYS . 1.1 tp -139.05 154.03 48.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.812 0.339 . . . . 0.0 110.902 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.1 mtt-85 -115.02 149.55 37.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 70.0 mt -59.09 167.92 1.53 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.916 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 59.94 19.4 50.33 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.649 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -108.25 167.34 10.09 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.841 0.353 . . . . 0.0 110.918 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -96.16 154.99 16.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.926 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.3 m -138.12 169.25 18.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.152 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.5 tp -110.89 113.82 26.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.908 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.485 HD12 HD23 ' A' ' 51' ' ' LEU . 79.9 mt -90.5 123.1 33.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 61.27 28.05 17.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.98 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 56.84 27.21 55.85 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.585 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 -152.26 -64.68 0.17 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.833 0.349 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.56 152.91 24.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.821 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.7 p -114.56 132.09 56.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.843 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -140.96 155.97 25.26 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.546 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -105.14 128.67 53.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.362 . . . . 0.0 110.874 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.753 HD11 ' HB ' ' A' ' 47' ' ' VAL . 8.9 tp -77.24 147.64 36.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.816 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.426 ' HD3' ' CG ' ' A' ' 68' ' ' PHE . 12.0 mtp180 -142.11 -46.84 0.35 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 88.9 t80 -113.66 150.17 33.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.502 ' HA ' HG12 ' A' ' 47' ' ' VAL . 30.4 p -142.75 143.0 32.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.941 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 112.39 178.56 19.82 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.525 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 73.7 p -59.1 162.19 4.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.724 0.297 . . . . 0.0 110.966 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.846 HG23 ' HB2' ' A' ' 46' ' ' TRP . 9.7 p -104.89 -178.88 3.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.86 -28.02 13.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -113.58 37.77 3.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.991 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.529 ' HB3' ' OG1' ' A' ' 39' ' ' THR . . . -174.68 160.65 3.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.18 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 12.5 t -104.45 150.54 24.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 95.39 178.45 37.05 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.448 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -82.68 130.91 35.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.81 0.338 . . . . 0.0 110.959 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.846 ' HB2' HG23 ' A' ' 39' ' ' THR . 25.2 m95 -129.34 161.61 29.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.898 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.753 ' HB ' HD11 ' A' ' 33' ' ' LEU . 8.5 m -146.41 130.65 10.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.108 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -77.55 122.39 6.08 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.443 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.701 HG21 HD13 ' A' ' 83' ' ' ILE . 21.4 t -122.64 144.58 31.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.832 0.348 . . . . 0.0 111.16 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -112.14 110.0 20.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.82 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.485 HD23 HD12 ' A' ' 25' ' ' LEU . 56.1 mt -59.99 143.52 51.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.915 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -79.47 -53.28 7.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -74.2 156.59 87.46 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.8 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -59.58 80.91 0.06 OUTLIER 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.616 2.211 . . . . 0.0 112.281 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -151.98 138.85 18.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.818 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 149.31 171.76 18.27 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.462 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.5 tptp -141.92 31.59 1.6 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.805 0.336 . . . . 0.0 110.855 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -159.32 163.26 35.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -106.38 33.05 4.05 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.94 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.434 ' HA3' ' CE2' ' A' ' 68' ' ' PHE . . . 65.07 28.53 73.65 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.478 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 35.7 t -157.56 160.38 38.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.803 0.335 . . . . 0.0 110.881 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.453 HG12 ' N ' ' A' ' 63' ' ' GLY . 21.4 t -130.6 156.99 42.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.085 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.453 ' N ' HG12 ' A' ' 62' ' ' VAL . . . -59.73 90.76 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.452 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 127.7 -28.68 4.39 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.461 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.6 t -137.7 130.15 41.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.809 0.337 . . . . 0.0 111.16 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.3 ttm105 -107.66 113.21 26.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 47.3 m-85 -84.51 -43.62 14.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.434 ' CE2' ' HA3' ' A' ' 60' ' ' GLY . 15.8 p90 -169.09 178.21 4.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.915 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 1.3 pp -119.68 140.12 44.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.056 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 10.1 p -163.27 161.2 18.28 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.943 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 55.5 Cg_exo -51.74 167.96 0.38 Allowed 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.566 2.178 . . . . 0.0 112.233 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -60.94 123.39 12.85 Favored 'Trans proline' 0 C--N 1.345 0.395 0 C-N-CA 122.534 2.156 . . . . 0.0 112.215 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.82 88.77 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 -179.829 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -165.86 -42.91 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.924 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -71.27 135.11 23.6 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.503 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -141.18 134.71 29.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.814 0.34 . . . . 0.0 110.866 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -101.92 140.77 35.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.827 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.638 ' HB3' HD11 ' A' ' 83' ' ' ILE . . . -159.64 176.31 12.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.159 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 51.1 m -99.91 157.51 16.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.681 HG11 HD11 ' A' ' 15' ' ' LEU . 5.2 m -56.85 -28.35 28.17 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.298 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 29.9 p -62.04 -30.75 71.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.958 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 23.3 mttt -106.49 27.85 8.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.067 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.701 HD13 HG21 ' A' ' 49' ' ' VAL . 37.0 mt -148.82 139.01 16.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.977 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.23 177.3 4.84 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.927 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.525 ' HG2' HD13 ' A' ' 17' ' ' LEU . 1.5 mtmt -94.63 44.58 1.11 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.978 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . 58.75 171.04 0.06 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.7 t -80.54 90.62 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.115 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.7 p30 -125.03 -177.29 3.81 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.939 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -76.43 77.64 3.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 21.4 t -87.14 126.18 34.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -107.51 91.81 0.72 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.512 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 49.7 Cg_endo -69.09 129.01 17.51 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.561 2.174 . . . . 0.0 112.353 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.9 m -98.34 34.84 1.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.964 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 24.0 p -95.99 -31.16 13.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.086 0 CA-C-O 118.384 -1.231 . . . . 0.0 112.498 -179.973 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.274 0 N-CA-C 112.575 -0.21 . . . . 0.0 112.575 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.26 142.16 33.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.799 0.333 . . . . 0.0 110.942 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.1 p -167.91 176.85 5.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.859 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.49 157.35 16.58 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.538 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -125.48 112.42 16.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.852 0.358 . . . . 0.0 110.899 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -142.69 174.8 10.32 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -120.48 29.22 5.97 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.457 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -68.11 -39.79 88.48 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.563 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.668 ' OD1' HD12 ' A' ' 12' ' ' LEU . 62.6 m-20 -148.23 119.04 7.56 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.892 0.377 . . . . 0.0 110.88 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.5 tp -90.64 -63.69 1.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.896 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 74.0 mmm -92.97 -29.33 15.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.923 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.668 HD12 ' OD1' ' A' ' 9' ' ' ASN . 62.3 mt -58.05 -31.61 67.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.885 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.58 -31.59 47.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -80.88 -46.04 15.88 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.158 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 47.9 mt -61.04 -63.36 1.32 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.955 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 128.73 42.24 0.25 Allowed Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.508 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.456 HD13 ' CG ' ' A' ' 85' ' ' LYS . 18.2 tp -154.94 149.19 26.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.836 0.35 . . . . 0.0 110.835 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 6.8 mtt-85 -115.61 167.68 10.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.835 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.513 ' HA ' HD23 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -75.55 148.54 38.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.914 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.04 -33.7 6.36 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.582 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -77.43 167.12 22.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.863 0.364 . . . . 0.0 110.799 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 7.4 mtt-85 -85.96 158.39 19.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.941 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 23.2 m -134.59 156.37 40.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.138 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.501 ' HB2' ' HB2' ' A' ' 86' ' ' ALA . 11.6 tp -99.3 116.49 31.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.578 HD23 HG23 ' A' ' 83' ' ' ILE . 25.5 mt -102.43 121.74 42.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 59.68 25.4 14.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.034 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 55.58 50.43 60.48 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.701 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -174.85 -70.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.841 0.353 . . . . 0.0 110.962 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -64.4 135.12 55.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.69 144.83 25.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -142.41 167.68 26.06 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.519 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.87 123.24 45.4 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.83 0.348 . . . . 0.0 110.868 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.513 HD23 ' HA ' ' A' ' 19' ' ' LEU . 10.6 tp -64.27 137.32 57.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.862 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.2 mmp_? -131.41 -46.08 0.99 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.916 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.447 ' CD1' ' N ' ' A' ' 36' ' ' CYS . 47.8 t80 -139.71 156.81 46.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.926 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.6 ' HA ' HG12 ' A' ' 47' ' ' VAL . 49.6 t -148.87 149.02 30.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 116.89 -145.37 18.69 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.467 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 58.8 p -80.92 -178.76 7.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.788 0.327 . . . . 0.0 110.943 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.517 ' OG1' ' HB3' ' A' ' 42' ' ' ALA . 0.8 OUTLIER -138.86 -177.91 5.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -98.56 -32.33 11.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.909 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 9.1 p90 -106.66 28.06 8.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.968 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.517 ' HB3' ' OG1' ' A' ' 39' ' ' THR . . . -166.57 158.15 13.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.092 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 28.8 t -126.29 119.88 28.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.873 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 137.37 -131.29 5.47 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.462 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -111.38 122.3 47.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.808 0.337 . . . . 0.0 110.917 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 91.4 m95 -145.99 149.86 34.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.634 HG22 ' O ' ' A' ' 78' ' ' ALA . 27.3 m -142.69 146.86 21.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.162 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -94.14 119.68 6.11 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.53 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.467 HG21 HD13 ' A' ' 83' ' ' ILE . 21.4 t -121.75 141.9 40.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.908 0.385 . . . . 0.0 111.119 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -105.23 112.42 25.53 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.844 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 37.1 mt -63.98 131.2 46.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.021 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -70.64 -33.16 70.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.826 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -78.49 154.7 79.03 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 41.9 Cg_endo -67.48 66.51 0.76 Allowed 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.54 2.16 . . . . 0.0 112.254 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -157.24 146.8 20.37 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.87 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 179.23 -149.42 8.76 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.497 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.81 -46.23 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.823 0.344 . . . . 0.0 110.948 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.4 m-80 -104.1 158.85 16.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.948 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -101.67 24.96 9.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 95.43 -32.93 5.81 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.675 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.3 t -112.39 139.09 48.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.806 0.336 . . . . 0.0 111.003 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.9 t -152.26 142.37 15.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.141 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 58.86 23.85 56.91 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.623 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 95.67 -32.27 6.44 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.527 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.5 t -80.4 138.66 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.846 0.355 . . . . 0.0 111.152 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.4 ttt85 -111.6 118.98 37.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -88.5 -33.65 17.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.906 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 32.2 p90 -175.96 -179.25 1.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.904 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 2.2 pt -119.05 135.06 60.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.072 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 30.8 p -161.05 160.74 24.65 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.872 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_exo -51.26 167.62 0.33 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.531 2.154 . . . . 0.0 112.295 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -60.37 125.05 16.42 Favored 'Trans proline' 0 C--N 1.345 0.352 0 C-N-CA 122.601 2.2 . . . . 0.0 112.156 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 10.3 mtmm 61.82 88.91 0.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.797 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -166.59 -42.53 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.986 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -68.3 111.82 4.26 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.528 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -123.38 141.05 52.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.845 0.355 . . . . 0.0 110.907 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -104.81 137.21 42.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.634 ' O ' HG22 ' A' ' 47' ' ' VAL . . . -146.59 166.55 26.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.128 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -83.64 149.51 26.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 17.8 m -57.45 -37.64 58.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.246 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 4.4 t -65.02 -24.94 67.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.093 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -97.14 27.56 4.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.157 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.631 HD11 ' HB3' ' A' ' 78' ' ' ALA . 34.2 mt -149.96 143.12 17.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.105 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.3 m -119.35 179.67 4.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.895 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.456 ' CG ' HD13 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -90.05 122.22 32.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.971 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.501 ' HB2' ' HB2' ' A' ' 24' ' ' LEU . . . -112.22 75.77 0.94 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.076 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.416 HG13 ' HD3' ' A' ' 85' ' ' LYS . 23.0 m -98.7 143.4 13.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.148 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.6 t70 60.69 178.73 0.1 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.855 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -148.03 34.26 0.82 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.159 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 29.3 t -124.31 155.56 38.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -94.75 -167.63 36.41 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.529 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.25 -28.95 22.27 Favored 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 122.589 2.192 . . . . 0.0 112.302 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -94.5 -48.62 6.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.888 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 27.7 t 60.79 86.77 0.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.398 -1.223 . . . . 0.0 112.531 179.985 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.18 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.9 m -109.67 -53.51 2.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.903 0.383 . . . . 0.0 110.898 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 65.21 -77.82 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.943 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.51 32.63 6.53 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.514 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m -99.13 -60.5 1.52 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.779 0.323 . . . . 0.0 110.87 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.8 t -159.15 90.78 0.99 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.957 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.79 93.64 1.86 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.494 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -95.72 -55.97 1.28 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.527 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.404 ' CB ' ' HB2' ' A' ' 12' ' ' LEU . 0.8 OUTLIER 61.09 -166.6 0.2 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.783 0.325 . . . . 0.0 110.803 -179.923 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -97.45 -69.9 0.74 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.068 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 7.4 mmt -70.23 -35.2 73.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.054 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.829 HD22 ' O ' ' A' ' 17' ' ' LEU . 9.4 mt -57.85 -35.27 70.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.969 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 97.1 p -66.71 -32.25 73.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.931 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.53 -31.36 47.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.055 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 28.4 mt -84.19 -49.88 8.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.861 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 104.89 39.79 2.26 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.468 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.829 ' O ' HD22 ' A' ' 12' ' ' LEU . 5.9 tp -132.49 166.24 22.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.768 0.318 . . . . 0.0 110.877 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.9 mtt180 -125.15 156.95 37.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.433 HD22 ' C ' ' A' ' 34' ' ' ARG . 94.5 mt -64.79 106.1 1.14 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.93 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 144.49 -27.98 1.94 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.596 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -72.45 173.28 9.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.915 0.388 . . . . 0.0 110.853 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.52 155.11 17.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 26.2 m -140.34 156.76 24.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.101 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.411 HD12 ' HA ' ' A' ' 24' ' ' LEU . 12.4 tp -96.09 119.2 34.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.88 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.687 HD12 HD23 ' A' ' 51' ' ' LEU . 33.3 mt -102.21 118.91 37.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 t70 60.59 26.84 16.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.933 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 55.62 26.97 47.61 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.522 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 21.6 mm-40 -144.35 -71.43 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.841 0.353 . . . . 0.0 110.837 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.7 171.0 5.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 17.7 p -140.87 143.12 34.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -149.96 177.25 28.21 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.484 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.7 m -111.3 132.89 54.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.789 0.328 . . . . 0.0 110.838 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.691 ' CD2' HD21 ' A' ' 12' ' ' LEU . 19.7 tp -71.89 131.15 42.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.894 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.433 ' C ' HD22 ' A' ' 19' ' ' LEU . 2.3 mtp180 -125.33 -44.4 1.87 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.4 ' CD2' ' N ' ' A' ' 36' ' ' CYS . 70.0 t80 -122.27 162.12 22.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.939 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.577 ' SG ' HG12 ' A' ' 47' ' ' VAL . 2.4 t -157.7 136.18 11.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 128.41 -154.42 19.98 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.521 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.9 t -65.96 -171.17 0.1 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.823 0.344 . . . . 0.0 110.961 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.51 HG23 ' HB2' ' A' ' 46' ' ' TRP . 0.8 OUTLIER -145.26 -177.25 5.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.907 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -89.9 -31.54 17.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -105.61 31.14 5.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.414 ' HB3' ' OG1' ' A' ' 39' ' ' THR . . . -175.66 160.5 2.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.114 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 96.8 p -110.01 -30.6 7.72 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.919 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -59.32 -163.57 0.1 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.525 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -87.89 136.69 32.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.836 0.35 . . . . 0.0 110.882 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.51 ' HB2' HG23 ' A' ' 39' ' ' THR . 49.2 m95 -143.52 168.43 19.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.912 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.577 HG12 ' SG ' ' A' ' 36' ' ' CYS . 30.9 m -151.1 138.28 13.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.061 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -96.47 121.16 6.89 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.787 -0.72 . . . . 0.0 112.549 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.0 t -127.03 145.86 33.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.883 0.373 . . . . 0.0 111.047 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -101.86 111.58 23.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.89 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.687 HD23 HD12 ' A' ' 25' ' ' LEU . 6.7 mt -63.87 123.72 19.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.868 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -60.83 -31.42 70.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.95 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -83.39 160.26 59.9 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.908 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.1 62.67 2.56 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 122.624 2.216 . . . . 0.0 112.313 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -156.74 157.16 34.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.89 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 153.13 -33.53 0.79 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.534 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.23 34.36 20.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.804 0.335 . . . . 0.0 110.913 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -155.01 143.42 20.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.865 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -108.78 34.4 3.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.857 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 62.51 28.41 71.21 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.555 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.9 t -152.45 149.09 28.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.856 0.36 . . . . 0.0 110.909 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 21.5 t -150.41 118.35 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.094 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 63.04 -121.34 24.44 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.454 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -103.49 29.58 12.01 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.546 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.5 t -133.77 152.21 34.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.856 0.36 . . . . 0.0 111.104 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.7 ttm-85 -126.33 153.09 45.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -127.32 -45.14 1.53 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 23.6 p90 -171.45 165.22 7.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.91 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 23.2 pt -105.28 129.76 57.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.062 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 25.8 p -152.06 161.25 29.96 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.891 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_exo -51.47 168.08 0.32 Allowed 'Trans proline' 0 C--N 1.345 0.381 0 C-N-CA 122.533 2.156 . . . . 0.0 112.203 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 12.6 Cg_endo -56.03 114.55 1.95 Allowed 'Trans proline' 0 C--N 1.345 0.347 0 C-N-CA 122.568 2.179 . . . . 0.0 112.162 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 21.0 mttt 62.5 96.62 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -159.82 -45.5 0.05 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -64.9 162.02 39.58 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.51 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.441 HD22 HD11 ' A' ' 51' ' ' LEU . 15.1 tp -160.01 119.85 2.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.855 0.359 . . . . 0.0 110.827 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 -99.49 133.15 44.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.835 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -156.4 179.98 8.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.05 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 25.0 m -87.28 152.62 22.14 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.928 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 10.3 m -59.76 -30.75 45.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.126 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -60.31 -30.86 69.77 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.951 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 17.2 mttt -97.99 27.48 4.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.01 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.524 HD12 ' CG2' ' A' ' 47' ' ' VAL . 22.4 mt -150.5 146.86 16.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.034 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 68.3 m -124.08 179.42 4.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -96.82 41.37 1.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.83 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . 61.03 164.19 0.08 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.087 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.5 t -75.54 110.35 10.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.177 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 24.3 p-10 -126.08 78.72 1.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.845 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -109.05 -20.68 12.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.338 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 66.87 97.54 0.05 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.775 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 173.43 -53.28 0.16 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.446 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_exo -52.3 -30.22 41.71 Favored 'Trans proline' 0 C--N 1.344 0.333 0 C-N-CA 122.616 2.21 . . . . 0.0 112.274 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 38.6 p -101.4 130.21 47.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.827 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.51 -42.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.385 -1.231 . . . . 0.0 112.46 -179.979 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.215 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.7 t 60.23 31.62 20.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.896 0.379 . . . . 0.0 110.881 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.6 p -79.73 80.16 6.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.04 -132.83 1.6 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.492 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -67.92 87.6 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.781 0.324 . . . . 0.0 110.94 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.7 t -115.87 163.68 15.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.35 106.66 1.8 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.508 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -161.71 88.45 0.11 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.536 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -84.89 97.26 9.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.861 0.362 . . . . 0.0 110.821 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.3 mp -82.39 -69.46 0.62 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.849 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -84.7 -30.98 24.34 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.887 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.4 mt -59.76 -33.49 71.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.762 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.4 t -76.05 -38.15 57.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.895 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.97 -31.01 70.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.182 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.834 HD11 HG11 ' A' ' 80' ' ' VAL . 3.8 mt -93.43 -61.54 1.54 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 123.62 40.16 0.47 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.433 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 19.6 tp -138.77 158.97 43.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.882 0.372 . . . . 0.0 110.873 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -128.7 159.11 36.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 50.6 mt -62.84 149.42 44.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 97.65 -30.86 8.54 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.462 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -74.99 154.96 37.84 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.784 0.326 . . . . 0.0 110.886 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -86.64 156.84 19.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.739 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 11.4 m -141.15 178.83 2.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.102 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.5 tp -119.65 117.25 27.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.932 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.611 HD23 HG23 ' A' ' 83' ' ' ILE . 13.1 mt -98.17 131.3 44.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.824 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 59.72 25.5 14.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.036 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 54.97 41.72 78.07 Favored Glycine 0 C--N 1.331 0.285 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.579 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 11.4 mt-30 -164.99 -68.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.864 0.364 . . . . 0.0 110.919 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.43 144.77 56.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 43.8 p -112.52 138.68 48.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -146.12 -178.44 21.56 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.643 -0.789 . . . . 0.0 112.507 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 64.7 m -123.91 126.06 45.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.812 0.339 . . . . 0.0 110.874 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.498 HD12 HG22 ' A' ' 49' ' ' VAL . 14.0 tp -67.9 114.77 6.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.425 ' HB3' ' CD1' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -105.19 -36.51 7.22 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.876 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 81.6 t80 -135.28 160.16 39.29 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.805 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.555 ' SG ' HG12 ' A' ' 47' ' ' VAL . 24.4 t -159.66 147.52 17.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.942 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 119.79 -168.26 13.61 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.484 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.0 t -71.37 -171.27 0.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.838 0.352 . . . . 0.0 110.882 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 21.4 p -135.57 175.92 9.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -109.41 28.24 8.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 19.6 p90 -161.33 29.07 0.13 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.964 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -177.76 137.17 0.19 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.084 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.4 m -91.18 84.27 5.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.845 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . -176.79 -163.89 29.79 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.529 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -109.4 136.5 48.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.858 0.361 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 81.7 m95 -143.35 162.52 35.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.961 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.598 HG22 ' O ' ' A' ' 78' ' ' ALA . 5.4 m -151.21 128.59 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -85.02 125.05 7.02 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.52 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.498 HG22 HD12 ' A' ' 33' ' ' LEU . 21.3 t -133.32 133.03 58.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.894 0.378 . . . . 0.0 111.131 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -81.35 132.46 35.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.802 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 92.3 mt -84.27 123.19 29.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.972 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -58.01 -49.01 78.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.937 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -84.01 161.43 55.31 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.815 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -68.44 78.47 0.65 Allowed 'Trans proline' 0 C--N 1.344 0.304 0 C-N-CA 122.481 2.121 . . . . 0.0 112.283 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -142.02 165.36 27.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.809 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 109.59 -172.77 16.31 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.546 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.1 tttp -153.9 32.03 0.44 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.851 0.357 . . . . 0.0 110.871 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 53.7 m-80 -151.63 141.84 22.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -101.48 31.47 3.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 85.78 28.69 28.44 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.512 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 73.9 p -149.75 117.77 6.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.85 0.357 . . . . 0.0 110.902 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 27.7 t -119.93 122.88 69.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.142 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 59.71 -124.75 37.22 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.448 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -105.76 32.2 7.65 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.472 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.5 t -141.99 121.81 10.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.81 0.338 . . . . 0.0 111.106 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.0 ttp-105 -100.04 141.13 33.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 26.6 m-85 -113.9 -43.89 3.22 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.981 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.425 ' CD1' ' HB3' ' A' ' 34' ' ' ARG . 49.8 p90 -165.47 -176.47 3.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.976 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.403 HG22 ' N ' ' A' ' 70' ' ' CYS . 26.3 mt -120.02 154.09 22.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.138 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.403 ' N ' HG22 ' A' ' 69' ' ' ILE . 4.9 p -171.11 157.88 5.02 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 17.3 Cg_endo -57.63 171.92 1.26 Allowed 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.657 2.238 . . . . 0.0 112.311 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_exo -51.95 119.02 5.08 Favored 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.589 2.192 . . . . 0.0 112.485 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt 58.26 76.18 0.35 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.076 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 7.4 tt0 -157.17 26.2 0.31 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.072 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -144.59 116.48 0.95 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.477 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 6.0 tp -123.68 144.79 49.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.935 0.398 . . . . 0.0 110.82 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -121.71 126.62 49.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.598 ' O ' HG22 ' A' ' 47' ' ' VAL . . . -150.69 -179.97 7.7 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.142 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 m -85.96 158.38 19.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.905 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.834 HG11 HD11 ' A' ' 15' ' ' LEU . 10.3 m -61.61 -30.84 49.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.087 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 29.5 t -61.11 -27.82 68.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.981 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.9 mttp -97.75 30.32 3.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.019 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.611 HG23 HD23 ' A' ' 25' ' ' LEU . 24.2 mt -149.88 148.65 15.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.034 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 84.2 p -134.56 146.82 50.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.424 ' HG2' HG23 ' A' ' 87' ' ' VAL . 0.0 OUTLIER -60.23 131.44 50.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.926 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -97.11 39.11 1.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.095 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . 0.424 HG23 ' HG2' ' A' ' 85' ' ' LYS . 21.5 t -114.68 129.87 70.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.077 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -74.33 -179.2 3.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.881 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -156.34 -56.48 0.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.069 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.54 86.7 1.68 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.857 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 77.0 149.57 3.31 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.478 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -52.68 139.3 58.35 Favored 'Trans proline' 0 C--N 1.345 0.35 0 C-N-CA 122.641 2.228 . . . . 0.0 112.343 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 34.0 t -137.03 92.34 2.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.3 m -112.66 98.01 6.95 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.356 -1.247 . . . . 0.0 112.443 -179.979 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.205 0 N-CA-C 112.542 -0.223 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -152.08 160.38 43.45 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.779 0.323 . . . . 0.0 110.894 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.0 m -78.37 173.46 12.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.836 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.95 104.25 1.52 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.807 -0.711 . . . . 0.0 112.481 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.0 t 60.63 50.95 5.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.925 0.393 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.7 m 62.79 -80.23 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.004 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.97 93.17 0.11 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.539 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -107.72 -101.22 2.7 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.515 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 60.64 94.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.797 0.332 . . . . 0.0 110.948 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 9.7 tt -99.88 -55.22 2.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 8.3 tpt -75.77 -33.73 60.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.943 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 1.025 HD23 HD12 ' A' ' 15' ' ' LEU . 6.7 mt -70.85 -28.67 64.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.972 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 25.6 p -56.93 -30.31 63.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.018 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -83.86 -30.94 26.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.121 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 1.025 HD12 HD23 ' A' ' 12' ' ' LEU . 37.4 mt -72.36 -53.92 10.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 116.62 33.64 1.4 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.528 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.402 HD13 ' HG3' ' A' ' 85' ' ' LYS . 1.3 tp -143.99 148.33 35.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.837 0.351 . . . . 0.0 110.932 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -99.16 172.66 7.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.886 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.558 HD21 ' SG ' ' A' ' 36' ' ' CYS . 85.3 mt -82.72 145.93 29.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.906 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.59 -29.37 10.48 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.481 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -69.31 150.89 46.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.762 0.315 . . . . 0.0 110.966 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.8 149.46 41.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.563 HG22 ' O ' ' A' ' 31' ' ' GLY . 21.9 m -134.27 167.31 26.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.131 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.7 tp -107.95 100.87 10.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.88 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.665 HD21 HG11 ' A' ' 49' ' ' VAL . 35.6 mt -75.41 126.26 30.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 59.9 23.48 12.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.126 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 54.44 51.71 49.72 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.719 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -176.21 -49.15 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.884 0.373 . . . . 0.0 110.939 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 28.1 mtmt -82.0 143.13 31.8 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 40.6 p -99.26 118.49 36.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.944 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.563 ' O ' HG22 ' A' ' 23' ' ' VAL . . . -130.17 138.74 10.42 Favored Glycine 0 N--CA 1.453 -0.23 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.43 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 63.1 m -88.49 116.39 26.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.801 0.334 . . . . 0.0 110.964 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.817 HD12 HG22 ' A' ' 49' ' ' VAL . 9.1 tp -75.04 147.05 41.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.801 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.46 ' O ' HD22 ' A' ' 19' ' ' LEU . 1.6 mmp_? -135.84 -46.62 0.66 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.992 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -121.85 155.49 35.27 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.91 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.564 ' HA ' HG12 ' A' ' 47' ' ' VAL . 30.6 p -148.77 134.69 19.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.908 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 136.84 -132.59 6.09 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.497 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.2 t -108.69 172.59 6.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.829 0.347 . . . . 0.0 110.845 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 13.1 p -111.19 179.22 4.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.918 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -103.23 -29.62 11.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.03 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.411 ' CD2' HG11 ' A' ' 62' ' ' VAL . 25.5 p90 -86.81 -29.69 22.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.958 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -129.69 -169.73 2.17 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.043 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -134.5 -178.86 5.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.868 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 86.63 -170.17 41.88 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.514 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -77.67 123.49 26.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.861 0.362 . . . . 0.0 110.912 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . . . . . . . . . 88.8 m95 -147.9 151.34 35.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.922 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.573 HG22 ' O ' ' A' ' 78' ' ' ALA . 27.6 m -150.02 148.18 15.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.153 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -93.72 124.44 7.84 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.509 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.817 HG22 HD12 ' A' ' 33' ' ' LEU . 14.5 t -133.17 144.38 36.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.855 0.36 . . . . 0.0 111.114 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -104.85 118.37 36.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.866 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 84.7 mt -66.9 130.73 44.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.857 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -64.01 -40.28 96.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.927 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -79.24 160.97 69.57 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.853 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.57 64.19 2.27 Favored 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.551 2.167 . . . . 0.0 112.261 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -146.46 159.57 43.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 156.76 -165.25 33.01 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.472 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -154.9 30.4 0.41 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.806 0.336 . . . . 0.0 110.883 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -173.89 159.69 3.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -108.33 31.19 5.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 73.27 33.14 59.34 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.535 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.0 m -158.95 148.52 18.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.816 0.341 . . . . 0.0 110.913 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.411 HG11 ' CD2' ' A' ' 41' ' ' PHE . 21.5 t -141.69 107.08 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.185 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 59.6 -114.12 5.94 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.542 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -100.42 28.25 16.69 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.575 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.5 t -135.43 149.66 28.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.857 0.36 . . . . 0.0 111.07 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.25 131.28 27.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 9.7 m-85 -102.84 -31.86 10.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 19.6 p90 -170.29 170.16 7.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.8 mt -109.37 115.64 50.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.109 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 30.7 p -141.39 160.97 55.16 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.974 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -54.34 168.7 0.9 Allowed 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.628 2.218 . . . . 0.0 112.225 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -62.54 119.84 7.11 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.54 2.16 . . . . 0.0 112.231 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.9 mtmt 62.14 88.03 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -160.85 -44.01 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.917 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -81.08 148.58 28.57 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.535 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 1.3 tp -143.9 149.19 36.51 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.815 0.341 . . . . 0.0 110.894 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -109.19 126.87 53.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.839 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.573 ' O ' HG22 ' A' ' 47' ' ' VAL . . . -139.56 167.68 21.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.075 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 18.7 m -81.08 147.54 30.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.898 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 7.3 m -59.0 -29.86 42.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.166 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.02 -29.45 70.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.001 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.4 mmpt? -98.58 31.73 2.78 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.894 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.582 HG23 HD23 ' A' ' 25' ' ' LEU . 35.7 mt -146.57 154.04 12.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.068 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.407 ' N ' HG22 ' A' ' 83' ' ' ILE . 0.3 OUTLIER -134.99 166.67 22.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . 0.402 ' HG3' HD13 ' A' ' 17' ' ' LEU . 0.0 OUTLIER -78.05 126.18 30.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -82.44 147.07 28.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.129 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.4 t -141.41 125.53 16.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.127 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -73.79 78.19 1.58 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -149.98 82.05 1.38 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.11 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -65.43 107.08 1.55 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.837 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . 156.46 -145.28 11.9 Favored Glycine 0 CA--C 1.518 0.275 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.454 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_exo -50.81 137.35 42.84 Favored 'Trans proline' 0 C--N 1.345 0.377 0 C-N-CA 122.568 2.179 . . . . 0.0 112.315 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.5 p -160.33 153.3 21.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.911 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 68.13 -70.29 0.13 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.933 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.099 0 CA-C-O 118.373 -1.237 . . . . 0.0 112.494 179.967 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.171 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m -83.4 151.14 25.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.815 0.341 . . . . 0.0 110.903 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 m 60.49 -176.46 0.11 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.35 -33.88 0.13 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.572 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.1 m -89.11 -55.04 3.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.805 0.335 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.4 t -72.1 102.34 2.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.88 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.85 39.47 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.477 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 166.39 -128.07 1.7 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.483 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -70.25 75.73 0.52 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.931 0.396 . . . . 0.0 110.892 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.487 HD23 ' HG2' ' A' ' 11' ' ' MET . 2.4 tp -77.14 -66.08 0.87 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.872 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.745 ' HB2' HG11 ' A' ' 80' ' ' VAL . 44.0 mmm -86.77 -26.54 24.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.073 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.509 HD11 ' SG ' ' A' ' 36' ' ' CYS . 46.0 mt -56.31 -34.18 66.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.026 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 m -68.96 -31.37 70.19 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.86 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -75.53 -39.42 58.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.094 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.0 mt -75.48 -57.4 3.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.931 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 119.6 38.09 0.74 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.489 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 2.8 tp -132.74 154.4 50.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.795 0.331 . . . . 0.0 110.867 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.4 mtm-85 -109.24 168.95 9.0 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.951 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.4 mt -73.15 149.22 43.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.901 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 98.16 -37.44 3.48 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.515 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -63.6 167.45 5.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.839 0.352 . . . . 0.0 110.866 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 2.7 mtm-85 -87.84 163.98 16.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 6.4 m -142.31 149.09 19.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.172 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.1 tp -94.56 108.54 20.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.924 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.46 HD23 HG23 ' A' ' 83' ' ' ILE . 44.2 mt -88.79 123.4 33.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.941 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 59.41 24.58 13.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.062 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 54.49 26.95 39.74 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.729 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -146.16 -52.92 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.817 0.341 . . . . 0.0 110.932 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -77.37 166.53 23.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.953 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 8.5 p -135.9 129.68 32.62 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.936 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . -141.92 162.79 27.07 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.507 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.9 m -101.76 140.57 35.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 0.0 110.879 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.503 HD21 ' SG ' ' A' ' 36' ' ' CYS . 13.4 tp -83.49 147.71 27.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.444 ' HD3' ' CG ' ' A' ' 68' ' ' PHE . 3.3 mtp85 -142.55 -54.49 0.42 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.87 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -117.11 152.75 34.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.509 ' SG ' HD11 ' A' ' 12' ' ' LEU . 53.6 m -154.87 149.21 26.13 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 118.49 -142.25 16.76 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.55 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.1 p -91.11 166.04 13.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.798 0.332 . . . . 0.0 111.015 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.454 HG23 ' HB2' ' A' ' 46' ' ' TRP . 11.7 p -109.35 170.83 7.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -107.52 46.55 0.93 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.843 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.429 ' CD1' ' N ' ' A' ' 42' ' ' ALA . 25.9 p90 -167.67 -42.99 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.994 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.429 ' N ' ' CD1' ' A' ' 41' ' ' PHE . . . -105.78 -31.99 8.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.082 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.0 m 60.43 98.13 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 169.32 178.92 40.92 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.444 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 4.6 mp0 -60.28 99.93 0.09 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.81 0.338 . . . . 0.0 110.922 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' TRP . . . . . 0.454 ' HB2' HG23 ' A' ' 39' ' ' THR . 99.2 m95 -137.63 153.14 49.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.462 HG22 ' O ' ' A' ' 78' ' ' ALA . 18.2 m -147.48 136.53 15.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.121 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -86.15 116.95 4.49 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.464 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.5 t -123.74 130.49 73.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.86 0.362 . . . . 0.0 111.159 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -93.95 120.68 34.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.557 HD12 ' O ' ' A' ' 55' ' ' GLU . 56.6 mt -75.45 132.52 40.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.845 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -63.47 -51.65 64.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -81.9 148.82 61.94 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -52.98 89.3 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.509 2.14 . . . . 0.0 112.326 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.557 ' O ' HD12 ' A' ' 51' ' ' LEU . 0.7 OUTLIER -157.36 130.31 7.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.853 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 157.21 172.39 24.37 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.444 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.7 mtmm -131.58 29.57 4.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.867 0.365 . . . . 0.0 110.953 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.47 ' OD1' HG22 ' A' ' 62' ' ' VAL . 9.6 m-80 -152.63 174.84 13.46 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -128.08 24.02 6.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.045 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 95.39 -29.13 10.01 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.617 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.8 m -117.65 135.92 53.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.759 0.314 . . . . 0.0 110.966 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.47 HG22 ' OD1' ' A' ' 58' ' ' ASN . 30.4 t -128.35 122.48 57.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.059 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 65.79 -102.24 0.68 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.46 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -127.41 28.08 4.59 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.498 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.4 t -133.46 132.05 57.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.84 0.352 . . . . 0.0 111.128 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 21.6 ttm180 -105.24 123.21 47.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.869 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -99.78 -37.81 8.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.821 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.444 ' CG ' ' HD3' ' A' ' 34' ' ' ARG . 13.3 p90 -174.59 170.58 3.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 29.4 mt -110.59 115.65 50.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.084 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 31.5 p -142.66 160.36 53.96 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.948 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.78 169.09 0.9 Allowed 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.527 2.152 . . . . 0.0 112.108 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_endo -61.06 125.73 17.77 Favored 'Trans proline' 0 C--N 1.343 0.261 0 C-N-CA 122.549 2.166 . . . . 0.0 112.172 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.1 mttp 60.59 87.6 0.09 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.866 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -162.94 -43.64 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.943 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -67.86 131.55 28.52 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.485 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.5 tp -138.75 123.34 18.51 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.927 0.394 . . . . 0.0 110.928 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -104.31 102.35 12.04 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.462 ' O ' HG22 ' A' ' 47' ' ' VAL . . . -118.98 179.32 4.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.01 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 14.8 m -88.41 155.27 19.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.745 HG11 ' HB2' ' A' ' 11' ' ' MET . 10.6 m -59.76 -36.36 65.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.021 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -60.96 -25.44 66.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.083 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 12.6 mmmt -96.94 32.98 1.99 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.009 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.46 HG23 HD23 ' A' ' 25' ' ' LEU . 25.8 mt -148.22 155.33 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.111 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.423 ' N ' HG22 ' A' ' 83' ' ' ILE . 8.5 t -133.02 159.57 39.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.924 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LYS . . . . . . . . . . . . . 2.3 ttmt -67.44 132.5 47.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -84.71 170.75 12.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.162 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 22.1 t 68.13 -69.87 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.192 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.41 ' O ' ' HB3' ' A' ' 89' ' ' ALA . 0.5 OUTLIER 55.21 52.08 12.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.332 -0.394 . . . . 0.0 111.011 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 88' ' ' ASP . . . 68.13 -70.41 0.13 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.153 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.6 m 61.0 166.57 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.934 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -161.41 174.62 37.98 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.51 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.17 -30.02 39.71 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.557 2.171 . . . . 0.0 112.313 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.3 p -145.0 178.93 7.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 98.3 p -70.79 -48.36 54.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.856 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.072 0 CA-C-O 118.402 -1.221 . . . . 0.0 112.447 -179.998 . . . . . . . . 0 0 . 1 stop_ save_