data_2e7b_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 2e7b _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 ' 9' ' ' VAL . . . . . . . . . . . . . 22.2 t . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.819 0.342 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -65.24 163.36 15.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.526 ' CE1' HG23 ' A' ' 87' ' ' THR . 10.7 m-85 -110.92 87.69 2.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.3 tp60 -59.89 -55.42 34.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -133.25 73.8 1.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.72 -178.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.155 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.4 mt -70.25 139.2 52.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.933 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.4 mmtp -117.89 165.92 13.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -52.03 132.59 32.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.421 ' CD1' ' HG ' ' A' ' 28' ' ' LEU . 7.1 mt -113.58 145.65 40.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.918 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -120.82 111.83 18.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.425 HG22 ' CD1' ' A' ' 70' ' ' LEU . 1.0 OUTLIER -142.22 152.26 18.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.105 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.426 HD23 ' N ' ' A' ' 22' ' ' GLU . 5.7 tt -101.61 147.8 25.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.426 ' N ' HD23 ' A' ' 21' ' ' LEU . 18.6 tt0 -58.31 123.13 15.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 124.11 27.62 1.35 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.478 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -156.3 -144.33 3.9 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.511 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -137.93 146.25 43.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.778 0.323 . . . . 0.0 111.105 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -112.89 122.02 46.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.112 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' THR . . . . . 0.407 ' CG2' ' HG2' ' A' ' 64' ' ' GLU . 45.4 m -118.92 109.5 16.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.143 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.421 ' HG ' ' CD1' ' A' ' 18' ' ' LEU . 2.6 mp -82.07 158.75 23.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 50.6 mtm180 -144.56 144.66 31.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.5 p -162.42 132.77 4.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 99.1 t -104.3 128.48 57.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.7 mt -83.76 158.4 21.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.0 t -68.16 -25.37 65.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.7 t -142.2 149.71 40.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.3 t -75.66 112.54 13.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.098 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.64 152.35 36.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.471 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . . . -174.95 166.94 2.02 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.59 0.709 . . . . 0.0 111.075 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.471 ' HA ' ' CB ' ' A' ' 37' ' ' ALA . 53.4 Cg_endo -69.79 174.49 40.45 Favored 'Cis proline' 0 C--O 1.231 0.148 0 C-N-CA 122.74 -1.775 . . . . 0.0 112.302 0.028 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.495 ' CG1' ' N ' ' A' ' 40' ' ' LYS . 94.7 t -112.62 163.31 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.495 ' N ' ' CG1' ' A' ' 39' ' ' VAL . 20.5 tttt -113.12 136.96 52.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.967 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.504 ' CD1' HD21 ' A' ' 56' ' ' LEU . 33.7 m95 -120.45 128.48 53.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.938 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.0 p -133.81 146.29 50.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.94 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -141.64 106.47 4.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 85.16 -101.67 2.54 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.488 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -114.91 -55.24 2.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.858 0.361 . . . . 0.0 110.908 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -73.31 163.09 28.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 8.1 p -94.42 136.59 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 97.2 mt -73.17 147.21 45.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 49.5 mtt180 -132.34 146.51 61.87 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.598 0.713 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 130.78 19.88 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.677 2.251 . . . . 0.0 112.36 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -172.94 -143.2 4.1 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.492 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -81.09 -56.96 3.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.874 0.369 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.4 tptm -51.61 -51.2 57.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -114.34 152.11 31.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.3 t -135.58 107.42 7.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.82 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.504 HD21 ' CD1' ' A' ' 41' ' ' TRP . 2.8 mt -98.6 137.35 37.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 24.9 mmt-85 -141.18 135.74 31.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.3 tm0? -123.94 132.64 53.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.946 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -158.97 117.38 2.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 45.82 76.42 0.13 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.471 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 40.19 49.58 2.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.755 0.312 . . . . 0.0 111.103 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 7.7 ttt -145.23 129.74 17.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.451 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 1.9 mm? -110.7 158.93 18.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.941 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.415 ' OE1' ' C ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -151.77 110.52 3.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.5 tp -115.6 112.27 21.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 48.9 t -95.8 144.4 10.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.117 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.7 t -131.89 107.77 13.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.102 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 23.1 mmt180 -85.9 164.34 17.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 58.47 45.52 16.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.425 ' CD1' HG22 ' A' ' 20' ' ' VAL . 13.0 mt -49.66 126.94 14.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 39.4 mtp85 -130.6 154.02 81.61 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.648 0.737 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -3.84 12.8 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.678 2.252 . . . . 0.0 112.364 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -107.9 -4.92 17.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -82.48 -29.69 30.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 69.5 m -48.31 114.09 0.88 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -146.39 -138.39 3.18 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.472 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -125.79 97.77 5.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.839 0.352 . . . . 0.0 110.947 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -90.89 107.49 19.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.9 p -117.19 129.93 56.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 23.3 t -96.46 123.35 40.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 41.7 m -94.31 107.87 19.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.843 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -152.16 124.65 8.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 83.45 -138.32 17.53 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.45 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -101.52 -27.18 13.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.756 0.313 . . . . 0.0 110.874 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -101.36 159.64 15.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 17.4 m -131.62 144.33 50.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.526 HG23 ' CE1' ' A' ' 11' ' ' PHE . 10.3 t -112.54 162.21 15.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 45.2 t -155.02 136.87 14.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.828 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -138.21 173.1 11.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.061 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.457 HG23 ' N ' ' A' ' 91' ' ' LEU . 90.8 m -130.38 139.97 50.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.196 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.457 ' N ' HG23 ' A' ' 90' ' ' THR . 34.1 tp -102.66 147.28 27.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.897 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 56.6 m -114.58 116.12 28.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.136 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 62.0 t -123.28 114.11 40.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.126 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 8.0 m -94.04 128.64 40.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 96' ' ' LEU . . . -66.48 119.8 12.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.091 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 95' ' ' ALA . 5.3 mt -35.82 144.0 0.26 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.556 0.694 . . . . 0.0 110.94 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.156 0 C-N-CA 122.684 2.256 . . . . 0.0 112.311 179.853 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.2 t . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.82 0.343 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -74.07 143.78 45.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -81.57 92.94 6.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -63.04 -57.26 11.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -130.02 66.19 1.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.47 172.42 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.072 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.7 mt -49.38 168.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.7 mtmt -140.79 171.73 13.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -76.35 123.13 25.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.6 mp -121.71 151.61 40.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -136.92 124.11 21.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.438 ' CG1' ' N ' ' A' ' 21' ' ' LEU . 98.2 t -142.13 158.74 20.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.438 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 2.4 tp -83.87 143.59 29.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -51.53 166.85 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.69 36.27 92.12 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.506 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -144.23 -145.99 4.44 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.526 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -142.03 143.99 33.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.826 0.346 . . . . 0.0 111.103 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -116.85 114.74 24.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.112 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 12.0 m -104.53 105.47 15.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.465 ' N ' HD12 ' A' ' 28' ' ' LEU . 2.8 mp -91.15 150.94 21.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 26.2 mtt85 -139.51 151.99 46.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.0 p -164.15 139.46 6.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 82.3 t -115.33 143.99 23.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.6 mp -110.1 156.72 20.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.953 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.1 t -53.46 -35.81 60.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.839 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.6 m -135.87 172.24 13.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.9 t -92.2 105.44 16.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.94 132.51 34.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.098 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.47 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . . . -161.54 167.02 13.77 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.605 0.717 . . . . 0.0 111.1 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.47 ' HA ' ' CB ' ' A' ' 37' ' ' ALA . 54.3 Cg_endo -69.65 174.32 40.66 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.728 -1.78 . . . . 0.0 112.381 -0.108 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.416 HG13 ' N ' ' A' ' 40' ' ' LYS . 30.5 t -115.4 158.05 15.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.115 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.416 ' N ' HG13 ' A' ' 39' ' ' VAL . 59.3 tttt -106.76 120.07 41.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.927 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.531 ' CD1' HD21 ' A' ' 56' ' ' LEU . 21.1 m95 -97.43 152.78 18.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 51.6 t -141.01 128.61 21.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.863 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -125.19 103.73 8.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.43 -88.21 0.2 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.501 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -124.61 -56.97 1.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.879 0.371 . . . . 0.0 110.872 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -66.64 159.45 27.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 8.8 p -93.77 129.35 44.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.151 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 83.7 mt -69.19 140.49 54.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 32.9 mtp180 -132.27 143.97 51.14 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.592 0.71 . . . . 0.0 110.879 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 138.51 38.12 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.7 2.267 . . . . 0.0 112.337 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -178.72 -111.0 0.29 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.516 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -112.36 -60.6 1.84 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.856 0.36 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? -48.4 -49.33 35.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -107.28 168.03 9.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.2 t -148.45 105.86 3.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.854 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.531 HD21 ' CD1' ' A' ' 41' ' ' TRP . 5.1 mp -113.87 132.88 55.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.932 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 18.5 ttt85 -138.4 159.87 40.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 31.8 tp60 -121.41 132.8 54.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 60' ' ' GLY . 20.2 tt0 -150.27 106.23 3.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 59' ' ' GLU . . . 34.36 72.17 0.11 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.523 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 51.96 49.56 20.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.752 0.311 . . . . 0.0 111.121 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.8 ttm -146.69 112.31 5.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -105.77 136.19 45.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.932 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -130.71 110.11 11.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.0 tp -102.99 117.49 34.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.2 t -104.77 138.91 27.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.083 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 95.3 t -129.95 116.2 36.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.113 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 19.5 mmt85 -93.15 163.45 13.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.5 m120 56.63 52.61 9.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 18.0 mt -63.26 143.84 57.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.95 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.0 mtp180 -142.85 152.33 58.74 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.629 0.728 . . . . 0.0 110.831 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . 0.468 ' HG2' ' NE2' ' A' ' 73' ' ' GLN . 53.5 Cg_endo -69.81 1.64 4.28 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.674 2.249 . . . . 0.0 112.328 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.468 ' NE2' ' HG2' ' A' ' 72' ' ' PRO . 22.7 mp0 -103.29 -25.04 13.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 75' ' ' SER . 3.4 m-20 -76.44 -33.19 58.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.874 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 74' ' ' ASP . 6.1 p -36.09 124.57 0.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -162.01 -137.05 2.11 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 8.2 ttp-105 -124.01 110.94 15.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.782 0.325 . . . . 0.0 110.821 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -97.15 113.83 25.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.4 p -117.43 162.67 17.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 44.1 t -131.38 112.09 12.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.8 t -85.45 128.2 34.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -161.93 131.61 4.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 57.07 -128.16 46.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.508 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -103.36 -21.68 13.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.767 0.318 . . . . 0.0 110.847 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -98.65 140.58 32.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.933 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 83.7 m -129.75 134.67 47.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.6 t -103.16 158.25 16.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.16 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 89.2 p -151.35 122.4 7.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -121.57 171.93 8.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.086 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 99.1 m -127.88 143.44 51.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 15.2 tp -122.38 127.17 49.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.971 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 84.8 m -101.46 122.15 43.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.145 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 47.7 t -117.18 111.24 34.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 9.7 m -84.1 147.04 27.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.179 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 96' ' ' LEU . . . -92.87 123.43 36.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.087 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 95' ' ' ALA . 12.6 mt -36.88 151.06 0.12 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.677 0.751 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.342 0.186 0 C-N-CA 122.665 2.243 . . . . 0.0 112.32 179.88 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.0 t . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.83 0.348 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -98.74 172.71 7.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.835 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.452 ' CE1' HG23 ' A' ' 87' ' ' THR . 10.8 m-85 -94.95 92.46 6.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -69.23 -53.75 18.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -127.53 64.94 1.34 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.67 -175.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 31.9 mt -64.53 169.68 4.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? -148.03 174.24 12.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.4 p-10 -66.65 135.72 54.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.862 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.46 ' CD1' ' HG ' ' A' ' 28' ' ' LEU . 11.5 mt -129.99 152.55 49.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -136.62 129.4 30.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.497 ' CG1' ' N ' ' A' ' 21' ' ' LEU . 96.2 t -151.15 164.32 2.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.497 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 17.5 tp -92.05 152.66 19.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.934 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -66.76 153.35 43.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.57 27.25 43.55 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.503 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -140.96 -141.05 3.93 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.476 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -141.39 145.59 35.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.809 0.338 . . . . 0.0 111.078 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -114.7 118.18 32.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.065 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 38.8 m -107.89 123.9 49.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.46 ' HG ' ' CD1' ' A' ' 18' ' ' LEU . 5.2 mp -105.32 158.35 16.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.0 mmt85 -142.68 150.26 39.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 29.1 p -166.45 127.09 1.68 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 37.9 t -108.85 132.68 56.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.0 mp -102.77 163.77 12.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 83.5 p -58.29 -22.93 54.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.4 m -163.31 148.86 11.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.856 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.445 ' HB ' ' N ' ' A' ' 61' ' ' ALA . 1.9 p -63.72 133.9 29.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.115 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.554 ' CB ' ' CZ ' ' A' ' 82' ' ' PHE . . . -146.17 151.16 37.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.098 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.475 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . . . -174.08 167.03 2.42 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.557 0.694 . . . . 0.0 111.101 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.475 ' HA ' ' CB ' ' A' ' 37' ' ' ALA . 53.9 Cg_endo -69.72 158.83 90.47 Favored 'Cis proline' 0 C--O 1.231 0.152 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.363 -0.046 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.3 t -109.84 144.24 18.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.117 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.409 ' HD2' ' N ' ' A' ' 41' ' ' TRP . 1.4 tmmm? -105.55 136.34 45.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.409 ' N ' ' HD2' ' A' ' 40' ' ' LYS . 39.6 m95 -120.05 110.6 16.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.911 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.5 t -131.2 137.58 49.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.826 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.421 ' O ' ' CG ' ' A' ' 43' ' ' TYR . 2.9 t80 -121.47 96.1 4.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.991 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 76.49 -110.58 3.07 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.471 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -89.94 -67.14 0.86 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.815 0.34 . . . . 0.0 110.881 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 57.0 m-80 -59.41 159.84 7.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 93.2 t -111.28 124.69 68.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.161 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.4 mt -76.94 131.34 38.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 69.8 mtp180 -131.7 151.36 78.48 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.645 0.736 . . . . 0.0 110.844 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 142.28 47.84 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.676 2.251 . . . . 0.0 112.369 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -176.8 -111.83 0.3 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.511 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -110.76 -38.38 5.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.871 0.367 . . . . 0.0 110.873 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.6 mmmt -75.76 -53.74 8.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -95.12 157.83 15.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.7 t -138.66 111.91 8.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.843 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.6 mt -107.08 114.87 29.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.921 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -122.12 112.32 18.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -91.56 126.62 36.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 60' ' ' GLY . 36.0 mm-40 -126.76 82.81 2.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 59' ' ' GLU . . . 34.42 89.65 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.451 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.445 ' N ' ' HB ' ' A' ' 35' ' ' VAL . . . 64.63 48.54 2.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.795 0.331 . . . . 0.0 111.1 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.421 ' CE ' ' HB2' ' A' ' 59' ' ' GLU . 6.1 tmm? -163.21 137.01 5.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.47 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 1.1 mm? -127.93 150.1 50.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.928 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -144.6 114.69 7.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.7 tp -111.43 104.7 13.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 43.0 t -94.43 121.42 45.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.164 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.1 t -113.74 110.27 31.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.3 mmm-85 -83.77 168.19 16.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.8 m120 59.47 50.47 7.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 11.9 mt -60.74 144.4 52.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 48.4 mmm-85 -145.17 150.75 46.29 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.626 0.727 . . . . 0.0 110.849 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -15.81 37.1 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.689 2.259 . . . . 0.0 112.301 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -89.26 -5.5 57.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.935 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -98.55 -12.04 21.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.4 m -45.46 107.65 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.819 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -150.06 -163.47 11.17 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.437 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 51.4 ttp180 -120.97 119.9 33.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.841 0.353 . . . . 0.0 110.881 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -87.91 163.39 16.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 44.3 t -158.31 125.11 4.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.879 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 2.9 t -102.02 112.53 25.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.1 t -85.74 127.65 34.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.841 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.554 ' CZ ' ' CB ' ' A' ' 36' ' ' ALA . 19.6 t80 -155.53 132.0 10.35 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 59.47 -113.34 5.1 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.495 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -116.74 -35.6 4.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.787 0.327 . . . . 0.0 110.924 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -81.81 152.1 27.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 66.8 m -143.08 137.06 28.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.135 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.452 HG23 ' CE1' ' A' ' 11' ' ' PHE . 13.2 t -122.47 156.91 33.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 54.2 p -146.95 151.15 36.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -140.75 151.58 44.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.058 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.411 HG23 ' N ' ' A' ' 91' ' ' LEU . 95.3 m -99.33 138.72 36.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.411 ' N ' HG23 ' A' ' 90' ' ' THR . 31.0 tp -115.51 122.73 46.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.937 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 63.4 m -102.58 123.67 46.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.128 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 58.2 t -115.23 127.62 72.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.161 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 86.6 m -88.72 139.36 30.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -91.78 129.63 37.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.09 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 69.9 mt -43.69 145.01 1.24 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.628 0.728 . . . . 0.0 110.931 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.342 0.202 0 C-N-CA 122.657 2.238 . . . . 0.0 112.321 179.911 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 23.7 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.857 0.361 . . . . 0.0 111.11 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -105.18 131.07 53.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -66.68 76.21 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -52.16 -49.02 64.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.864 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.9 mp0 -134.35 78.14 1.74 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.6 -177.36 4.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 76.7 mt -45.09 169.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.936 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 47.5 pttt -159.11 162.94 36.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -50.17 140.14 13.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.849 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 45.4 mt -129.03 157.69 40.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -133.59 120.12 20.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.428 ' CG2' ' N ' ' A' ' 21' ' ' LEU . 3.3 p -154.59 157.27 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.184 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.428 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 10.0 tt -112.53 142.04 45.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.482 ' C ' ' CD ' ' A' ' 22' ' ' GLU . 4.5 tm-20 -47.26 124.54 6.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 121.75 32.06 1.06 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.469 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -160.91 -143.65 3.74 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.512 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -140.93 156.84 46.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.79 0.329 . . . . 0.0 111.102 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -112.08 131.86 55.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.074 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 94.2 m -117.61 96.17 5.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.0 mp -82.35 126.32 32.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.943 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.5 mmt180 -116.63 150.09 38.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -165.97 129.63 2.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.841 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 46.1 t -110.24 133.23 56.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.126 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.552 HD13 ' CE2' ' A' ' 82' ' ' PHE . 3.6 mt -101.49 165.79 11.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.0 t -54.47 -20.08 6.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.5 t -171.61 148.26 2.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.429 ' HB ' ' N ' ' A' ' 61' ' ' ALA . 1.9 p -57.22 118.71 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.187 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.409 ' HB2' ' CE1' ' A' ' 82' ' ' PHE . . . -134.8 134.37 40.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.471 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . . . -165.97 166.94 9.27 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.553 0.692 . . . . 0.0 111.112 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.471 ' HA ' ' CB ' ' A' ' 37' ' ' ALA . 53.7 Cg_endo -69.73 152.67 92.46 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.343 -0.037 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.0 m -100.84 175.59 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.151 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 65.8 tttt -123.66 126.39 46.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 30.5 m95 -119.27 105.11 11.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.97 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 23.7 p -129.43 146.94 51.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.401 ' O ' ' CG ' ' A' ' 43' ' ' TYR . 3.2 t80 -127.83 95.44 4.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 99.31 -102.02 2.49 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.468 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -111.77 -54.91 2.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.804 0.335 . . . . 0.0 110.854 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -74.12 167.96 20.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 6.7 p -107.16 139.51 28.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.156 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.4 mt -79.73 147.6 31.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 28.1 mtp85 -126.17 144.55 49.38 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.579 0.704 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 153.7 68.73 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.644 2.23 . . . . 0.0 112.339 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 166.94 -142.19 7.42 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.507 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.79 -58.63 3.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.884 0.373 . . . . 0.0 110.86 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.0 tptp -51.16 -46.59 62.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -105.13 177.23 4.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.0 m -158.73 105.86 1.84 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.8 mp -102.2 118.86 37.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -132.12 120.89 22.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -108.09 118.07 35.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -111.38 82.96 1.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 41.66 90.22 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.506 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.429 ' N ' ' HB ' ' A' ' 35' ' ' VAL . . . 58.98 52.77 6.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.822 0.344 . . . . 0.0 111.131 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 2.1 ttt -168.33 109.71 0.55 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -93.28 153.64 18.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -148.04 107.99 4.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.0 tp -107.37 112.5 25.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.4 t -100.39 126.9 53.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 97.1 t -117.41 106.9 20.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.132 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -79.14 155.86 28.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.463 ' O ' ' CD ' ' A' ' 71' ' ' ARG . 27.6 m-20 63.27 54.66 1.99 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 17.8 mt -58.83 161.41 4.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.463 ' CD ' ' O ' ' A' ' 69' ' ' ASN . 0.0 OUTLIER -166.5 152.51 8.0 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.645 0.736 . . . . 0.0 110.868 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -13.05 34.19 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.732 2.288 . . . . 0.0 112.344 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -83.74 -8.54 59.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.922 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -89.95 -28.12 19.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 25.1 m -40.38 102.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -141.18 -133.66 2.95 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.552 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 53.8 ttp180 -129.13 106.53 8.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.798 0.333 . . . . 0.0 110.888 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -95.6 121.47 37.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.936 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 35.4 p -133.43 123.89 26.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 51.9 t -93.94 115.73 28.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 29.5 t -86.94 126.27 34.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.552 ' CE2' HD13 ' A' ' 32' ' ' LEU . 6.6 t80 -161.34 138.96 9.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.849 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 61.18 -112.62 4.88 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.501 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 -122.86 -32.04 3.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.794 0.33 . . . . 0.0 110.859 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -81.43 159.49 24.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.8 m -138.99 124.41 19.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.15 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.1 t -97.91 159.73 14.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 52.9 p -151.74 132.79 14.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.82 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -142.5 172.87 12.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.113 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.407 HG23 ' N ' ' A' ' 91' ' ' LEU . 28.7 m -133.35 143.24 48.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.407 ' N ' HG23 ' A' ' 90' ' ' THR . 54.5 tp -99.37 142.28 31.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 95.4 m -107.52 100.27 9.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.3 t -111.12 120.24 61.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.103 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 31.6 m -82.05 132.98 35.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.153 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.59 108.29 2.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.082 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.536 ' C ' ' CD1' ' A' ' 96' ' ' LEU . 0.4 OUTLIER -41.14 144.03 0.71 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.62 0.724 . . . . 0.0 110.918 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.429 ' N ' HD13 ' A' ' 96' ' ' LEU . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.173 0 C-N-CA 122.692 2.261 . . . . 0.0 112.376 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 36.6 t . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.848 0.356 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.7 mmt180 -86.39 163.53 17.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -97.25 87.97 4.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.9 tp60 -62.55 -56.74 15.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -127.69 67.59 1.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.53 179.35 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.7 mt -61.79 169.76 2.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.5 mtpt -152.17 135.83 16.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.944 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -39.23 121.8 1.19 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.6 mp -109.79 164.51 12.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -135.09 124.03 24.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.853 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.8 t -148.74 152.02 12.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.179 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.7 tp -96.33 141.56 29.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.953 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -55.5 126.04 23.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 129.2 18.4 1.68 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.496 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -153.55 -140.94 3.16 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.447 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -137.44 158.23 44.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.787 0.327 . . . . 0.0 111.097 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -117.42 121.44 41.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.8 m -102.09 111.7 24.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.19 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.5 mp -100.88 116.93 33.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 44.1 mtm180 -113.44 156.03 24.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.0 p -165.97 137.04 3.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 87.2 t -112.19 137.71 43.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.1 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 34.0 mt -99.91 168.85 9.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.8 t -63.09 -26.74 68.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.404 ' C ' ' HB2' ' A' ' 61' ' ' ALA . 10.9 p -156.71 -177.54 6.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 41.5 t -83.63 91.68 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.141 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.512 ' HB1' ' CZ ' ' A' ' 82' ' ' PHE . . . -117.49 142.76 46.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.058 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.473 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . . . -173.88 166.98 2.53 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.608 0.718 . . . . 0.0 111.092 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.473 ' HA ' ' CB ' ' A' ' 37' ' ' ALA . 53.9 Cg_endo -69.69 176.48 32.2 Favored 'Cis proline' 0 C--N 1.342 0.187 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.384 -0.074 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.6 p -115.25 157.54 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.411 ' CE ' ' HA ' ' A' ' 40' ' ' LYS . 0.1 OUTLIER -116.59 118.17 31.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.877 179.907 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.453 ' CE3' HD22 ' A' ' 65' ' ' LEU . 23.3 m95 -104.29 111.41 24.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.0 t -110.17 136.6 49.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.631 ' CE1' ' CE2' ' A' ' 78' ' ' TYR . 9.9 t80 -150.7 114.43 4.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 69.1 -122.8 13.47 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.5 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 17.0 m-20 -118.44 50.33 1.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.869 0.366 . . . . 0.0 110.929 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -171.57 160.43 5.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 75.2 t -99.29 119.18 46.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.162 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 33.7 mt -64.17 131.04 46.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 64.4 mtt180 -131.06 151.65 79.3 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.6 0.714 . . . . 0.0 110.838 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 137.79 36.3 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.678 2.252 . . . . 0.0 112.336 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -175.51 -110.16 0.25 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.492 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -112.55 -47.43 3.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.859 0.361 . . . . 0.0 110.866 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.6 tptt -72.49 -46.15 56.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -112.12 162.32 15.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.942 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.3 t -146.8 123.77 11.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.432 HD11 ' CD1' ' A' ' 41' ' ' TRP . 4.1 mm? -109.59 113.63 26.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.7 tpp180 -132.31 142.42 49.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -117.96 138.08 52.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -133.46 86.08 2.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 44.1 78.8 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.442 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.404 ' HB2' ' C ' ' A' ' 34' ' ' SER . . . 62.52 48.22 4.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.81 0.338 . . . . 0.0 111.075 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 4.4 tmm? -158.79 119.12 3.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -100.17 159.38 15.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.926 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.422 ' OE2' ' C ' ' A' ' 65' ' ' LEU . 0.7 OUTLIER -153.36 125.14 7.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.453 HD22 ' CE3' ' A' ' 41' ' ' TRP . 13.6 tp -120.56 107.25 12.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 24.3 t -83.3 143.36 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.132 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.8 t -134.56 106.02 7.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -94.69 154.73 17.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 67.86 51.74 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 11.6 mt -54.99 151.28 9.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 68.3 mtm180 -155.47 154.93 29.14 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.593 0.711 . . . . 0.0 110.854 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -15.12 37.02 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.688 2.259 . . . . 0.0 112.327 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -85.9 -4.82 59.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -86.22 -33.69 20.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 59.4 m -41.68 100.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -140.92 -131.37 2.7 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.461 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.404 ' NH1' ' HB2' ' A' ' 77' ' ' ARG . 6.3 ttm105 -129.55 105.19 7.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.859 0.361 . . . . 0.0 110.813 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.631 ' CE2' ' CE1' ' A' ' 43' ' ' TYR . 49.5 m-85 -97.03 138.06 35.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.1 p -156.93 151.74 25.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.805 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 2.1 t -124.72 114.2 18.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.873 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.7 t -83.49 132.4 34.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.832 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.512 ' CZ ' ' HB1' ' A' ' 36' ' ' ALA . 0.2 OUTLIER -155.77 115.83 3.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 66.02 -115.14 7.19 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.532 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 20.0 p-10 -110.51 -28.92 8.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.755 0.312 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 24.1 mm100 -94.64 144.01 25.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.917 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 53.9 m -142.3 137.16 30.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.169 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 9.0 t -104.38 155.36 18.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.159 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.5 m -146.41 120.94 9.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.839 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -127.25 172.37 10.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.095 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 28.0 m -126.71 150.58 48.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.129 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 22.3 tp -115.98 130.31 56.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 97.1 m -95.77 124.27 39.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 66.4 t -129.42 112.14 24.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.4 m -95.07 132.16 40.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.169 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.5 107.95 5.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.105 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.52 ' C ' ' CD1' ' A' ' 96' ' ' LEU . 0.4 OUTLIER -52.26 144.68 21.47 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.618 0.723 . . . . 0.0 110.897 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.443 ' N ' HD12 ' A' ' 96' ' ' LEU . 53.0 Cg_endo . . . . . 0 C--N 1.341 0.168 0 C-N-CA 122.628 2.219 . . . . 0.0 112.34 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.4 t . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.819 0.342 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -133.48 144.81 49.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -73.11 83.11 1.3 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 56.5 tp60 -56.64 -52.58 64.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 14' ' ' ALA . 5.8 tt0 -127.51 54.15 1.7 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 13' ' ' GLU . . . -44.09 169.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.082 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.3 mt -48.25 165.49 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -142.6 172.02 13.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -68.73 127.06 31.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.834 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.443 ' CD1' ' HG ' ' A' ' 28' ' ' LEU . 10.9 mt -126.95 159.2 34.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.933 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -136.44 134.85 38.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 86.6 t -145.76 152.48 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.136 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.19 128.93 33.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -41.55 153.82 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.68 7.22 79.52 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.508 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.64 -146.7 9.97 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.482 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -137.89 151.66 48.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.826 0.346 . . . . 0.0 111.089 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -110.79 140.43 45.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.09 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.4 m -117.77 112.85 20.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.172 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.443 ' HG ' ' CD1' ' A' ' 18' ' ' LEU . 5.6 mp -115.5 127.09 55.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.951 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.5 ptt180 -141.17 132.06 25.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.814 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.46 ' SG ' ' CD2' ' A' ' 63' ' ' LEU . 6.5 p -120.99 -179.57 4.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.883 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 94.6 t -146.26 117.68 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.518 ' CD2' ' N ' ' A' ' 32' ' ' LEU . 1.1 mm? -86.18 158.25 19.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.9 t -58.92 -19.58 43.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.3 m -159.91 116.84 2.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.829 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.412 ' HB ' ' N ' ' A' ' 61' ' ' ALA . 1.9 p -38.73 134.59 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.113 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.521 ' HB2' ' CE1' ' A' ' 82' ' ' PHE . . . -159.65 141.89 13.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.106 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.479 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . . . -163.47 167.01 11.95 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.622 0.725 . . . . 0.0 111.091 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.479 ' HA ' ' CB ' ' A' ' 37' ' ' ALA . 53.8 Cg_endo -69.77 156.68 92.7 Favored 'Cis proline' 0 C--N 1.342 0.215 0 C-N-CA 122.645 -1.815 . . . . 0.0 112.348 -0.018 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.5 t -106.48 153.87 7.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.063 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.0 tttp -109.71 137.53 47.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.505 ' CD1' HD22 ' A' ' 56' ' ' LEU . 15.4 m95 -111.15 161.19 16.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.92 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.2 m -154.13 135.88 14.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.907 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.403 ' O ' ' N ' ' A' ' 45' ' ' ASN . 7.0 t80 -130.47 102.92 6.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.944 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 61.43 -81.14 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.474 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 43' ' ' TYR . 2.3 m-80 -128.6 -51.62 1.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.859 0.362 . . . . 0.0 110.882 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 31.3 m-20 -69.16 142.93 54.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 62.3 t -86.4 121.06 37.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 95.8 mt -66.85 137.79 56.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 38.5 mtt180 -138.72 150.26 65.13 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.632 0.729 . . . . 0.0 110.843 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 147.69 63.08 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.662 2.241 . . . . 0.0 112.321 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 176.93 -132.09 1.97 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.451 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -95.8 -39.98 9.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.83 0.348 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.7 mmmm -76.2 -47.9 22.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -99.45 176.52 5.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.92 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.9 t -162.78 116.79 1.71 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.505 HD22 ' CD1' ' A' ' 41' ' ' TRP . 6.8 mp -115.69 131.37 56.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.4 ttt180 -144.03 136.04 26.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.448 ' OE1' ' CD1' ' A' ' 63' ' ' LEU . 3.4 tp60 -107.67 128.95 55.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -131.7 88.24 2.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 38.73 85.02 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.474 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.412 ' N ' ' HB ' ' A' ' 35' ' ' VAL . . . 59.06 41.3 20.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.757 0.313 . . . . 0.0 111.069 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 2.5 ttt -149.63 140.26 22.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.577 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.6 OUTLIER -122.92 161.22 24.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.909 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -152.34 107.31 3.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.4 tp -110.8 110.88 21.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.944 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 83.4 t -98.18 120.49 47.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.102 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 42.5 t -115.68 123.35 70.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.157 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -102.75 167.95 9.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 44.1 m-20 58.48 43.95 18.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.46 ' O ' ' CG ' ' A' ' 71' ' ' ARG . 24.9 mt -51.58 174.87 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.46 ' CG ' ' O ' ' A' ' 70' ' ' LEU . 53.2 mtt85 -162.8 145.02 8.15 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.612 0.72 . . . . 0.0 110.889 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -3.1 11.36 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.613 2.209 . . . . 0.0 112.361 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 50.4 mm-40 -100.56 -23.41 14.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 75' ' ' SER . 0.6 OUTLIER -68.4 -30.96 69.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 74' ' ' ASP . 65.7 m -37.53 99.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.836 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -145.5 -137.29 3.09 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.466 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 52.2 ttp180 -128.01 113.67 16.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.777 0.322 . . . . 0.0 110.913 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -91.56 160.22 15.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.476 ' CB ' ' O ' ' A' ' 87' ' ' THR . 58.5 m -154.06 167.93 28.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.88 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 4.3 t -145.71 127.86 15.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 58.2 m -95.09 125.83 40.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.521 ' CE1' ' HB2' ' A' ' 36' ' ' ALA . 11.6 t80 -164.13 135.54 4.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.865 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 49.28 42.06 32.3 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.471 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 62.45 26.27 15.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.801 0.334 . . . . 0.0 110.921 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -124.75 136.73 54.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 30.1 m -123.77 118.33 26.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.154 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.476 ' O ' ' CB ' ' A' ' 79' ' ' SER . 6.2 t -95.57 161.16 14.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.172 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 95.7 p -138.9 138.96 37.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -144.54 178.32 8.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.0 m -129.74 150.87 50.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.174 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 22.5 tp -135.14 109.51 8.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 30.3 m -91.47 121.66 33.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 99.8 t -119.79 114.93 45.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.1 m -82.25 132.88 35.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.19 132.95 44.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.061 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 47.0 mt -39.53 145.38 0.43 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.606 0.717 . . . . 0.0 110.91 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.178 0 C-N-CA 122.692 2.261 . . . . 0.0 112.335 179.901 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.0 t . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.829 0.347 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.2 mtt-85 -109.17 178.57 4.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.517 ' CE1' HG23 ' A' ' 87' ' ' THR . 11.4 m-85 -108.01 87.09 2.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -65.3 -57.88 7.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.969 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -123.28 60.85 1.05 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.68 -176.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.121 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 32.0 mt -69.14 157.68 36.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -138.7 167.31 22.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.887 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -58.46 140.19 54.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.3 mt -124.0 146.9 48.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -126.38 111.87 14.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.1 t -143.55 153.94 16.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.161 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.6 tp -91.03 134.51 34.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.502 ' C ' ' CD ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER -45.21 165.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.914 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.88 18.17 79.53 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.529 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -132.97 -143.23 4.99 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.502 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -137.45 158.92 43.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.799 0.333 . . . . 0.0 111.122 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -124.93 119.21 28.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 22.6 m -111.82 100.38 8.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.138 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.6 mp -84.1 153.69 23.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.914 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 18.2 mtm180 -138.94 144.22 38.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.3 p -162.66 124.91 2.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 43.5 t -103.87 129.29 56.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.148 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 33' ' ' SER . 5.6 mt -88.89 134.82 33.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.955 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 32' ' ' LEU . 3.9 m -37.4 -39.76 0.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.813 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.2 m -133.22 172.4 12.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.866 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 37.4 t -91.98 110.67 23.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.156 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -140.25 145.63 37.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.477 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . . . -170.4 166.98 4.81 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.553 0.692 . . . . 0.0 111.134 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.477 ' HA ' ' CB ' ' A' ' 37' ' ' ALA . 53.5 Cg_endo -69.74 169.75 61.76 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.724 -1.782 . . . . 0.0 112.325 -0.014 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.482 HG12 ' CD1' ' A' ' 82' ' ' PHE . 21.8 t -113.18 160.82 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.1 tptt -108.76 144.2 36.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 31.0 m95 -128.81 102.85 6.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.938 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 16.7 p -116.4 131.09 57.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.589 ' CD1' ' CD1' ' A' ' 78' ' ' TYR . 5.1 t80 -135.8 113.79 11.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.75 -93.37 0.18 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.461 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 37.3 t-20 -127.94 -59.74 1.18 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.861 0.362 . . . . 0.0 110.943 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -65.17 141.34 58.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 13.2 t -85.73 134.06 28.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.8 mt -80.58 122.61 27.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -125.57 152.96 72.65 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.553 0.692 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 129.53 17.8 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.67 2.247 . . . . 0.0 112.336 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -161.86 -129.04 0.99 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.485 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -98.42 -44.27 6.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.907 0.384 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.569 ' HE2' ' CE1' ' A' ' 54' ' ' TYR . 0.3 OUTLIER -69.36 -59.63 2.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.569 ' CE1' ' HE2' ' A' ' 53' ' ' LYS . 23.1 m-85 -86.54 162.04 18.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.0 t -141.08 115.28 9.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -102.24 124.75 48.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 40.1 mtp85 -134.68 128.08 32.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -118.57 133.63 55.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -134.79 84.63 2.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 42.35 94.25 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.504 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 57.46 30.28 18.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.769 0.319 . . . . 0.0 111.091 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 2.6 ttp -135.7 143.42 45.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.935 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.6 mt -132.44 151.54 51.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.462 ' CD ' ' C ' ' A' ' 64' ' ' GLU . 1.3 tm-20 -150.18 118.56 6.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.6 tp -113.39 119.56 38.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 97.9 t -102.78 130.1 53.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 6.7 t -118.4 116.74 52.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.104 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -93.4 158.53 15.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.8 m120 62.3 54.68 2.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 12.4 mt -56.43 149.24 17.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 21.3 mtt180 -155.59 147.45 17.19 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.615 0.721 . . . . 0.0 110.864 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 -4.49 14.19 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.653 2.235 . . . . 0.0 112.319 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -98.09 -11.92 22.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 75' ' ' SER . 21.8 t0 -82.94 -31.42 27.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 74' ' ' ASP . 69.4 m -35.34 103.06 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -136.5 -145.8 5.08 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.477 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 10.2 ttp-105 -119.54 100.5 7.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.822 0.344 . . . . 0.0 110.84 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.589 ' CD1' ' CD1' ' A' ' 43' ' ' TYR . 70.6 m-85 -91.24 106.57 18.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 33.6 p -122.4 134.69 54.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.853 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 3.2 t -102.26 115.49 30.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.933 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 7.2 t -83.0 124.9 30.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.482 ' CD1' HG12 ' A' ' 39' ' ' VAL . 1.6 t80 -158.25 123.9 4.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.843 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 64.58 -132.04 37.91 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.464 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -99.79 -23.38 15.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.814 0.34 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -93.69 150.01 20.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 50.7 m -137.1 121.75 18.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.517 HG23 ' CE1' ' A' ' 11' ' ' PHE . 8.3 t -91.05 159.57 16.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.166 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.6 t -150.23 140.89 22.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -147.63 169.0 20.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.144 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 51.4 m -130.75 136.56 48.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.145 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.3 tp -102.75 130.91 49.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 88.2 m -96.94 125.85 41.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.111 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 58.7 t -123.26 111.5 29.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 29.5 m -83.11 130.94 35.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 96' ' ' LEU . . . -83.48 120.91 26.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.107 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.448 ' C ' ' O ' ' A' ' 95' ' ' ALA . 31.1 mt -34.68 150.19 0.08 OUTLIER Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.649 0.738 . . . . 0.0 110.866 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.181 0 C-N-CA 122.688 2.259 . . . . 0.0 112.355 179.834 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 37.6 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.843 0.354 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 67.3 mtt180 -113.89 177.49 4.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -108.9 79.3 1.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.7 tp60 -59.09 -50.74 72.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -133.31 68.03 1.51 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.66 -175.12 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.133 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.4 mt -54.79 168.33 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.949 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -149.27 174.07 12.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -71.23 114.68 9.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.5 mp -106.45 156.19 18.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.951 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -137.25 113.42 9.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.2 t -132.02 154.86 40.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.091 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.8 tp -93.56 145.84 24.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.933 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -58.63 120.04 8.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 123.85 31.92 0.91 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.473 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -155.76 -144.4 3.91 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.518 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -135.05 155.2 51.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 0.0 111.097 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -113.23 120.56 41.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.083 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.2 m -110.72 109.48 19.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.158 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.4 mp -89.95 121.97 32.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 71.0 mtm180 -112.97 151.84 30.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 23.9 p -169.98 131.1 1.01 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 95.1 t -106.28 122.84 60.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.403 HD12 ' CD2' ' A' ' 63' ' ' LEU . 4.8 mt -87.35 146.99 25.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 83.2 p -45.92 -41.49 11.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.844 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.5 m -130.81 159.56 36.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.448 ' CG2' ' HB2' ' A' ' 61' ' ' ALA . 25.4 t -80.0 99.43 3.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.151 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -132.3 147.89 52.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.08 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.476 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . . . -171.29 166.99 4.11 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.625 0.726 . . . . 0.0 111.06 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.476 ' HA ' ' CB ' ' A' ' 37' ' ' ALA . 53.9 Cg_endo -69.72 177.76 27.65 Favored 'Cis proline' 0 C--N 1.342 0.205 0 C-N-CA 122.713 -1.786 . . . . 0.0 112.337 -0.047 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.403 HG22 ' N ' ' A' ' 40' ' ' LYS . 2.0 p -114.98 146.88 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.117 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.403 ' N ' HG22 ' A' ' 39' ' ' VAL . 15.1 tttt -104.15 118.83 37.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.517 ' CD1' HD21 ' A' ' 56' ' ' LEU . 71.1 m95 -93.17 159.87 15.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.8 m -150.46 119.82 6.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.409 ' O ' ' N ' ' A' ' 45' ' ' ASN . 11.9 t80 -147.29 107.99 4.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 40.79 -96.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.506 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.409 ' N ' ' O ' ' A' ' 43' ' ' TYR . 12.2 p30 -47.44 169.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.831 0.348 . . . . 0.0 110.923 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -46.94 169.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.8 p -44.23 142.14 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.121 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 51.5 mt -89.28 151.05 22.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 49' ' ' ARG . 12.2 mtp-105 -132.2 146.42 61.56 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.588 0.708 . . . . 0.0 110.898 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 147.14 62.14 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.719 2.279 . . . . 0.0 112.376 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -175.45 -132.34 1.58 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.46 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -91.3 -50.84 5.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.894 0.378 . . . . 0.0 110.883 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.6 tptt -58.34 -61.27 2.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -89.31 173.45 8.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.943 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.0 m -152.43 112.55 4.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.517 HD21 ' CD1' ' A' ' 41' ' ' TRP . 5.5 mp -111.36 134.11 53.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -140.9 145.05 35.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 36.2 tp60 -125.55 132.64 52.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 60' ' ' GLY . 3.8 tm-20 -160.11 133.53 6.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.822 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 59' ' ' GLU . . . 34.35 62.45 0.5 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.502 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.448 ' HB2' ' CG2' ' A' ' 35' ' ' VAL . . . 47.8 47.88 17.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.816 0.341 . . . . 0.0 111.096 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -143.6 127.08 16.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.403 ' CD2' HD12 ' A' ' 32' ' ' LEU . 2.3 mm? -104.9 160.71 14.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.906 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -152.39 115.52 4.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.6 tp -115.98 119.04 34.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 69.2 t -102.21 147.41 8.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 65.2 t -136.31 106.49 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.089 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 20.3 mmm-85 -84.7 161.13 20.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 54.04 53.67 10.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 34.9 mt -55.63 -177.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.945 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -171.68 150.62 2.66 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.61 0.719 . . . . 0.0 110.888 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -2.93 10.98 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.651 2.234 . . . . 0.0 112.368 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -114.19 34.45 4.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -118.88 -21.91 7.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 44.8 m -56.9 99.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -130.06 -131.19 3.31 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.484 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 31.5 ttp180 -128.45 100.77 5.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.846 0.355 . . . . 0.0 110.889 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -89.09 138.58 31.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 9.7 t -141.91 150.06 41.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.818 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.3 t -127.23 113.59 16.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.9 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.9 t -84.01 129.24 34.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -153.28 120.13 5.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 52.93 -112.98 2.48 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.539 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -119.05 35.8 4.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.756 0.312 . . . . 0.0 110.874 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -135.65 150.03 49.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.946 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 24.6 m -141.99 117.08 10.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.131 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.8 t -106.88 152.18 24.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.167 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 52.4 p -140.25 140.19 35.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -141.75 174.57 10.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.089 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 33.9 m -133.33 141.42 47.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.133 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 54.2 tp -109.46 149.81 29.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 54.7 m -119.81 128.12 53.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.139 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 61.6 t -130.91 117.41 37.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.159 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 27.6 m -85.73 134.34 33.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.132 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.37 110.05 5.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.466 HD12 ' N ' ' A' ' 97' ' ' PRO . 0.5 OUTLIER -52.75 145.4 21.96 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.609 0.719 . . . . 0.0 110.923 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.466 ' N ' HD12 ' A' ' 96' ' ' LEU . 53.6 Cg_endo . . . . . 0 C--N 1.342 0.191 0 C-N-CA 122.713 2.275 . . . . 0.0 112.295 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.457 HG11 ' N ' ' A' ' 10' ' ' ARG . 92.8 t . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.806 0.336 . . . . 0.0 111.139 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.457 ' N ' HG11 ' A' ' 9' ' ' VAL . 79.1 mtt180 -100.8 150.0 23.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -82.8 75.55 9.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -49.66 -50.37 43.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -131.55 65.41 1.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.827 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.21 -175.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.6 mt -63.82 -175.84 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -164.77 159.17 18.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -53.26 147.44 10.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.6 mt -135.87 138.75 42.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -112.67 115.82 29.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -145.04 147.25 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.155 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.4 tp -86.84 144.73 26.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.949 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -52.29 147.06 8.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.48 35.54 6.9 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.504 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -152.67 -147.19 4.54 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.508 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.465 ' N ' HD12 ' A' ' 70' ' ' LEU . . . -139.57 156.53 46.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.786 0.327 . . . . 0.0 111.082 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -119.07 134.0 55.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.083 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.1 m -115.47 113.47 23.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.108 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.5 mp -96.97 134.61 40.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.8 mmm-85 -127.56 138.41 52.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 29.5 p -156.03 125.4 6.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.7 t -109.62 129.98 63.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.453 ' CD2' ' N ' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -93.4 170.97 9.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.8 t -58.44 -28.9 65.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.3 t -156.74 147.79 22.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.855 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.413 ' HB ' ' N ' ' A' ' 61' ' ' ALA . 7.0 p -65.29 108.14 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.165 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.457 ' O ' ' CZ ' ' A' ' 82' ' ' PHE . . . -128.08 106.66 9.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.081 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.477 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . . . -125.26 167.0 17.55 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.607 0.717 . . . . 0.0 111.098 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.477 ' HA ' ' CB ' ' A' ' 37' ' ' ALA . 53.6 Cg_endo -69.74 170.59 57.61 Favored 'Cis proline' 0 C--N 1.342 0.214 0 C-N-CA 122.667 -1.805 . . . . 0.0 112.37 -0.037 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.6 t -110.5 154.69 12.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.15 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.55 115.51 27.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 38.9 m95 -99.03 148.79 23.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.925 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.3 p -158.78 131.95 7.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.765 ' CE1' ' CE2' ' A' ' 78' ' ' TYR . 1.8 t80 -138.43 105.92 5.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.895 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 83.68 -107.84 2.99 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.529 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -115.33 -54.09 2.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.843 0.354 . . . . 0.0 110.833 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -70.92 157.38 38.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 42.1 t -91.75 141.05 15.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.401 HD13 ' CB ' ' A' ' 43' ' ' TYR . 15.9 mt -86.37 122.77 30.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 80.5 mtm180 -117.41 149.19 44.27 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.595 0.712 . . . . 0.0 110.929 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 143.33 50.09 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.691 2.261 . . . . 0.0 112.296 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 169.28 -141.95 7.02 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.492 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -84.15 -48.86 9.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.919 0.39 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.8 tptt -64.74 -45.5 86.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -119.73 150.33 40.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.97 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.9 t -125.62 134.65 51.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 70.0 mt -132.93 109.44 9.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -128.2 135.34 49.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.404 ' C ' ' HG2' ' A' ' 59' ' ' GLU . 14.5 tt0 -116.43 145.78 43.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.498 ' O ' ' CB ' ' A' ' 62' ' ' MET . 6.6 mm-40 -151.09 105.3 3.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 59' ' ' GLU . . . 34.35 75.58 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.511 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.413 ' N ' ' HB ' ' A' ' 35' ' ' VAL . . . 59.97 41.75 17.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.764 0.316 . . . . 0.0 111.12 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.498 ' CB ' ' O ' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -130.77 129.87 43.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.47 HD22 ' N ' ' A' ' 63' ' ' LEU . 3.1 mm? -111.24 148.94 31.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -156.27 112.04 2.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.3 tp -123.07 122.21 37.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 52.6 t -107.69 122.14 61.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.139 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 31.2 t -113.82 104.42 16.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 26.2 mtt-85 -77.85 168.21 20.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 15.5 m120 58.5 54.23 5.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.465 HD12 ' N ' ' A' ' 25' ' ' ALA . 12.5 mt -62.06 125.37 23.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.7 mmt85 -122.51 154.15 62.78 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.619 0.723 . . . . 0.0 110.871 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 0.23 5.95 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.675 2.25 . . . . 0.0 112.333 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -101.73 -24.67 14.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.5 -36.14 82.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.6 m -43.22 98.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.834 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -144.12 -140.97 3.7 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.556 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 24.8 ttm-85 -117.77 100.91 7.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.844 0.354 . . . . 0.0 110.843 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.765 ' CE2' ' CE1' ' A' ' 43' ' ' TYR . 51.1 m-85 -91.66 131.43 37.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 95.0 p -136.96 149.3 47.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 4.0 t -128.22 130.15 47.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.849 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 50.3 m -83.51 122.81 29.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.848 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.457 ' CZ ' ' O ' ' A' ' 36' ' ' ALA . 5.3 t80 -145.02 122.1 11.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.881 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 60.56 -103.52 0.51 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.463 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -123.7 -34.19 3.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.767 0.318 . . . . 0.0 110.868 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -84.32 158.53 21.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 85.9 m -129.9 136.26 49.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 9.7 t -96.19 161.6 13.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.138 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.4 t -155.26 134.0 12.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -145.42 174.61 10.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.098 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 62.9 m -132.4 145.66 51.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.15 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 20.7 tp -111.99 146.25 38.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 70.9 m -114.89 120.91 41.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.165 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 60.9 t -128.76 114.47 33.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.138 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 58.7 m -93.34 136.33 33.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.158 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.82 121.7 20.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.073 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 8.7 mt -47.47 149.55 1.96 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.625 0.726 . . . . 0.0 110.93 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo . . . . . 0 C--N 1.342 0.19 0 C-N-CA 122.667 2.245 . . . . 0.0 112.335 179.886 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 6.2 t . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.876 0.37 . . . . 0.0 111.123 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 61.0 mtm-85 -93.43 173.32 7.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -95.38 92.96 6.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -59.96 -56.46 21.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -128.13 56.1 1.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -43.85 168.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.119 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.0 mt -45.45 152.63 0.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.3 mtpt -136.48 179.93 6.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.43 135.57 45.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.835 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.8 mt -127.68 152.63 47.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -132.73 118.62 19.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.5 t -138.16 153.83 27.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.17 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.62 129.81 34.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.41 ' CG ' ' N ' ' A' ' 23' ' ' GLY . 11.7 tt0 -46.82 157.59 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.41 ' N ' ' CG ' ' A' ' 22' ' ' GLU . . . 80.05 27.62 52.37 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.512 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -143.42 -142.48 3.97 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.472 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.449 ' CA ' HD11 ' A' ' 70' ' ' LEU . . . -133.95 153.96 51.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.795 0.331 . . . . 0.0 111.098 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -110.79 111.56 22.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.085 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 31.7 m -93.16 99.5 12.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.7 mp -83.69 146.0 28.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.934 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 60.1 mtt180 -140.73 152.83 45.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -166.14 126.74 1.74 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 48.6 t -103.16 138.13 28.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.096 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.495 HD21 ' CE2' ' A' ' 82' ' ' PHE . 4.3 mp -108.38 -177.86 3.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.9 t -67.38 -27.62 67.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.8 m -159.63 179.52 8.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.7 t -77.8 104.5 5.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.141 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.511 ' HB2' ' CZ ' ' A' ' 82' ' ' PHE . . . -126.62 136.08 52.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.114 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.482 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . . . -174.74 166.96 2.12 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.501 0.667 . . . . 0.0 111.121 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.482 ' HA ' ' CB ' ' A' ' 37' ' ' ALA . 54.4 Cg_endo -69.75 166.94 72.75 Favored 'Cis proline' 0 C--O 1.231 0.157 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.399 -0.041 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.465 ' CG2' HD13 ' A' ' 63' ' ' LEU . 3.2 t -116.93 146.66 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.152 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 34.7 tttp -112.81 133.75 54.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 17.8 m95 -107.12 161.22 14.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 71.7 m -142.58 121.13 12.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -139.13 126.48 21.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 57.19 -102.86 0.24 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.474 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -126.84 -62.86 1.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.837 0.351 . . . . 0.0 110.858 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -62.55 99.9 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 39.2 t -41.22 138.66 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.082 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 31.0 mt -76.97 125.21 28.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.455 ' CZ ' ' HB2' ' A' ' 49' ' ' ARG . 22.6 mtm105 -136.36 153.8 76.59 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.642 0.734 . . . . 0.0 110.87 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 134.51 28.22 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.709 2.273 . . . . 0.0 112.336 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -166.07 -112.68 0.27 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.515 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -112.77 -42.47 3.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.863 0.363 . . . . 0.0 110.862 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.56 -55.41 24.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.432 ' CE1' HG12 ' A' ' 67' ' ' VAL . 2.6 m-85 -110.87 168.04 9.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.922 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.8 t -139.07 117.71 12.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.432 ' N ' ' CD2' ' A' ' 56' ' ' LEU . 0.7 OUTLIER -93.94 117.34 29.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.938 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -143.3 130.57 20.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -108.09 146.51 32.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -134.95 83.89 2.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 55.07 98.45 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.509 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 41.42 47.35 3.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.745 0.307 . . . . 0.0 111.096 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 2.6 tmm? -159.4 123.63 3.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.465 HD13 ' CG2' ' A' ' 39' ' ' VAL . 2.3 mm? -97.58 152.44 19.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -141.17 128.23 20.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 15.9 tp -125.07 113.16 17.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.916 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 89.8 t -94.95 133.24 36.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.174 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.432 HG12 ' CE1' ' A' ' 54' ' ' TYR . 75.5 t -130.96 108.7 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -86.81 176.09 7.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 44.3 m-20 54.92 44.94 27.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.449 HD11 ' CA ' ' A' ' 25' ' ' ALA . 11.9 mt -56.77 151.26 14.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 74.6 mtt180 -136.56 148.67 64.72 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.546 0.689 . . . . 0.0 110.938 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -8.71 24.31 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.652 2.235 . . . . 0.0 112.356 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -106.25 -26.88 11.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -59.01 -33.05 70.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 50.5 p -46.69 117.01 1.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -154.56 -125.34 0.98 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.537 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 58.9 ttp85 -129.64 119.07 22.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.786 0.327 . . . . 0.0 110.897 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -102.41 142.95 32.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 38.1 m -126.16 164.98 19.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 51.3 t -149.46 126.46 11.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.926 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.3 t -100.4 129.29 46.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.511 ' CZ ' ' HB2' ' A' ' 36' ' ' ALA . 18.6 t80 -164.23 141.68 6.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 82' ' ' PHE . . . 35.74 50.34 1.08 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.446 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 57.67 39.69 27.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.735 0.302 . . . . 0.0 110.871 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.479 ' N ' ' O ' ' A' ' 82' ' ' PHE . 4.4 mm-40 -130.14 156.41 44.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 27.9 m -143.57 105.0 4.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.175 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 5.1 t -99.61 132.86 44.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.11 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -116.51 139.55 50.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.839 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -142.33 176.16 9.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.119 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 19.5 m -126.63 156.74 40.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.192 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 60.6 tp -133.24 135.68 45.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 89.6 m -110.72 131.56 54.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.12 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 65.6 t -130.4 109.33 17.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 56.8 m -83.66 131.93 34.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.187 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.38 119.0 12.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.463 HD11 ' N ' ' A' ' 97' ' ' PRO . 0.5 OUTLIER -65.68 145.64 99.03 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.572 0.701 . . . . 0.0 110.923 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.463 ' N ' HD11 ' A' ' 96' ' ' LEU . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.171 0 C-N-CA 122.717 2.278 . . . . 0.0 112.342 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 90.3 t . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.844 0.354 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -100.66 169.44 9.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -100.53 79.34 2.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 43.7 tp60 -54.34 -59.94 4.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.872 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -125.01 65.83 1.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.21 178.32 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.109 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 24.2 mt -47.68 168.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.941 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 17' ' ' ASP . 8.1 mtmp? -154.19 147.02 24.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 16' ' ' LYS . 1.5 p-10 -35.12 138.17 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.78 145.42 30.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.412 ' C ' HG23 ' A' ' 20' ' ' VAL . 25.7 tt0 -135.74 133.52 38.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.412 HG23 ' C ' ' A' ' 19' ' ' GLU . 66.4 t -146.29 151.72 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.168 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.8 tp -77.95 135.59 37.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -51.44 154.43 1.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.88 -44.49 1.71 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.436 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -80.8 -143.2 3.44 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.488 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -135.83 160.84 37.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.825 0.345 . . . . 0.0 111.078 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -114.61 136.06 53.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.075 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 42.2 m -117.59 121.8 41.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.4 mp -105.91 130.71 53.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.918 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 55.6 mtt180 -123.12 145.56 48.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 24.7 p -171.05 133.7 0.9 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.817 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 92.8 t -106.17 131.03 56.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.134 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.5 mt -90.69 150.17 21.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.2 m -40.78 -46.59 2.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.4 m -142.92 173.17 11.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.438 ' CG2' ' HB2' ' A' ' 61' ' ' ALA . 15.1 t -87.15 106.67 16.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.122 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -129.91 19.74 5.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.08 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.481 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . . . -59.55 166.98 2.71 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.573 0.701 . . . . 0.0 111.09 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.481 ' HA ' ' CB ' ' A' ' 37' ' ' ALA . 54.0 Cg_endo -69.77 179.69 21.62 Favored 'Cis proline' 0 C--N 1.342 0.201 0 C-N-CA 122.641 -1.816 . . . . 0.0 112.356 0.006 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.412 HG12 ' CE1' ' A' ' 82' ' ' PHE . 35.2 m -122.11 176.12 4.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.7 tttm -126.24 115.51 19.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.419 ' CD1' HD23 ' A' ' 56' ' ' LEU . 56.4 m95 -89.77 161.64 15.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.959 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 26.7 p -154.49 132.87 11.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.402 ' CD1' ' C ' ' A' ' 43' ' ' TYR . 1.0 OUTLIER -149.27 133.19 17.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.789 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 39.86 36.1 0.74 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.539 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 68.06 52.49 0.68 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.828 0.347 . . . . 0.0 110.925 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -151.97 161.17 43.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 48.9 t -100.96 122.7 53.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.1 mt -95.06 119.36 33.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.945 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -121.65 153.33 59.62 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.605 0.716 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 141.92 46.26 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.646 2.231 . . . . 0.0 112.327 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 176.32 -121.76 0.82 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.526 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -96.91 -60.77 1.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.881 0.372 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.0 tptt -63.07 -45.0 94.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -115.73 161.16 19.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.8 m -143.67 138.27 28.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.878 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.419 HD23 ' CD1' ' A' ' 41' ' ' TRP . 6.6 mp -140.86 126.83 19.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 25.8 tpt180 -136.68 131.42 33.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -101.39 129.69 47.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -128.97 81.42 2.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 43.17 88.01 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.481 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.438 ' HB2' ' CG2' ' A' ' 35' ' ' VAL . . . 56.72 43.03 25.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.771 0.32 . . . . 0.0 111.118 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 2.8 ttt -147.66 138.06 23.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -117.37 155.82 28.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -156.84 108.82 2.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.1 tp -112.32 128.99 56.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 90.6 t -114.91 120.47 64.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.111 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.6 t -114.88 114.76 47.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.135 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 24.9 mmt85 -88.31 172.42 9.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 62.1 t30 58.22 53.88 6.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 19.2 mt -59.52 146.96 38.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.466 ' HB3' ' NE2' ' A' ' 73' ' ' GLN . 23.7 mmm-85 -146.28 144.39 21.19 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.604 0.716 . . . . 0.0 110.845 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -4.68 14.52 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.691 2.261 . . . . 0.0 112.306 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.466 ' NE2' ' HB3' ' A' ' 71' ' ' ARG . 2.2 pm0 -105.93 2.95 27.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.953 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -90.96 -30.77 16.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.926 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 67.5 m -39.14 100.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -133.9 -140.15 4.28 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.466 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 56.7 ttt180 -119.48 100.73 7.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.762 0.315 . . . . 0.0 110.88 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -93.78 106.29 18.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 27.0 p -114.15 156.94 23.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.8 t -127.65 118.36 23.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 19.7 m -88.13 123.02 32.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.412 ' CE1' HG12 ' A' ' 39' ' ' VAL . 3.6 t80 -154.54 110.7 3.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 73.88 -122.31 7.55 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.485 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.65 -39.63 6.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.748 0.309 . . . . 0.0 110.864 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -81.85 160.19 23.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 89.8 m -143.86 129.2 18.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 6.3 t -94.77 156.31 16.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 95.6 p -153.86 122.11 6.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.85 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -127.28 169.04 13.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.129 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 60.9 m -128.57 138.25 52.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.136 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 18.3 tp -108.37 131.5 54.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 59.3 m -100.23 112.54 24.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.152 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 92.9 t -101.08 122.61 53.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 6.2 m -92.52 125.27 37.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.159 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.09 121.48 19.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.1 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.465 HD12 ' N ' ' A' ' 97' ' ' PRO . 0.5 OUTLIER -62.19 145.64 93.43 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.585 0.707 . . . . 0.0 110.927 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.465 ' N ' HD12 ' A' ' 96' ' ' LEU . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.174 0 C-N-CA 122.682 2.255 . . . . 0.0 112.347 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.442 ' CG1' ' HB3' ' A' ' 36' ' ' ALA . 8.9 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.802 0.334 . . . . 0.0 111.137 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 29.1 mtp180 -47.78 172.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.85 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -88.87 71.02 8.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.847 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -45.89 -52.8 10.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -128.62 60.15 1.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.913 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.18 171.11 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.121 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.9 mt -54.49 159.39 2.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.3 pttt -141.65 160.41 40.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.7 116.09 1.64 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 80.0 mt -103.33 163.88 11.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.409 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 0.5 OUTLIER -135.16 142.34 46.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 179.909 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.453 ' CG1' ' N ' ' A' ' 21' ' ' LEU . 94.4 t -157.76 160.13 2.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.453 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 5.4 tp -111.16 133.74 53.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -40.85 124.43 2.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.87 21.65 7.36 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.528 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -139.43 -145.91 4.81 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.461 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -142.49 157.27 44.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.813 0.34 . . . . 0.0 111.101 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -112.88 118.07 33.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.2 m -102.32 108.89 20.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.122 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.1 mp -90.98 105.13 17.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.958 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -115.13 123.3 48.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 20.6 p -139.0 144.14 38.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 76.2 t -109.52 134.07 52.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.127 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.552 HD13 ' CE2' ' A' ' 82' ' ' PHE . 9.2 mt -100.79 160.05 14.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 45.0 t -65.3 -14.68 61.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.3 m -173.44 140.39 0.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.864 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.8 p -66.61 106.58 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.53 ' HB1' ' CZ ' ' A' ' 82' ' ' PHE . . . -115.67 20.09 14.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.096 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.479 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . . . -45.05 167.04 0.12 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.538 0.685 . . . . 0.0 111.097 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.479 ' HA ' ' CB ' ' A' ' 37' ' ' ALA . 54.3 Cg_endo -69.73 174.24 41.26 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.375 -0.043 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.449 ' CG2' HD12 ' A' ' 63' ' ' LEU . 3.2 t -112.02 160.9 11.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.116 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.4 tttt -128.68 104.33 7.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 45.4 m95 -86.98 117.15 25.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 19.2 m -116.55 118.79 33.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -142.68 110.47 5.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 43.44 -97.09 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.515 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -51.61 -179.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.828 0.347 . . . . 0.0 110.928 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 27.3 p30 -53.06 171.13 0.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 20.3 t -42.34 134.39 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.133 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.1 mt -77.17 108.97 10.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 48.9 mtt180 -98.73 149.03 35.35 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.552 0.691 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 157.07 61.64 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.681 2.254 . . . . 0.0 112.329 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 173.25 -137.09 3.95 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.468 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -94.35 -2.93 51.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.869 0.366 . . . . 0.0 110.846 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.87 -55.25 2.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -96.32 152.72 18.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.95 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 45.2 t -124.84 102.33 7.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -97.49 110.55 23.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.5 ttt85 -130.31 113.5 14.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.42 ' OE1' ' N ' ' A' ' 60' ' ' GLY . 1.4 tm0? -108.03 135.53 49.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.955 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -134.17 79.92 1.83 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.42 ' N ' ' OE1' ' A' ' 58' ' ' GLN . . . 38.24 92.13 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.496 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 65.15 35.1 8.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.83 0.348 . . . . 0.0 111.124 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 3.2 tmm? -142.93 122.39 13.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.451 HD22 ' N ' ' A' ' 63' ' ' LEU . 2.9 mm? -102.69 151.3 22.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.968 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -156.37 108.78 2.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.4 tp -126.81 110.29 12.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 20.6 t -96.43 140.28 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.145 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 40.0 t -131.01 106.01 11.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.154 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 76.3 mtt180 -85.91 171.26 11.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 57.11 53.97 7.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.434 ' CD1' HG11 ' A' ' 20' ' ' VAL . 10.9 mt -65.76 173.84 2.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.938 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -174.33 147.43 1.2 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.603 0.716 . . . . 0.0 110.877 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 -6.38 18.42 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.72 2.28 . . . . 0.0 112.4 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -86.38 -17.92 33.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 75' ' ' SER . 10.8 m-20 -90.28 -3.16 57.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 74' ' ' ASP . 40.4 m -36.71 106.98 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -167.15 -173.81 35.73 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.477 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.82 139.6 49.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.84 0.352 . . . . 0.0 110.836 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -105.18 127.46 52.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 37.3 t -112.11 136.07 51.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.874 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 40.4 t -115.7 121.55 42.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.6 p -85.87 140.94 29.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.846 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.552 ' CE2' HD13 ' A' ' 32' ' ' LEU . 2.1 t80 -164.44 107.26 0.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 71.94 -106.36 1.9 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.524 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -121.44 -28.39 4.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.766 0.317 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -89.68 154.6 19.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.943 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 27.8 m -142.84 147.11 34.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.205 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 11.3 t -128.9 145.86 51.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.149 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.0 p -137.53 142.15 41.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -138.19 142.82 40.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.07 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 26.5 m -85.54 146.55 26.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 23.8 tp -107.32 127.0 53.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 39.0 m -97.95 115.09 27.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.187 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 55.8 t -117.19 108.7 25.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.118 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 16.5 m -81.86 141.76 33.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.185 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -83.04 112.9 20.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.132 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.466 HD11 ' N ' ' A' ' 97' ' ' PRO . 0.5 OUTLIER -51.99 145.6 17.15 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.6 0.714 . . . . 0.0 110.914 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.466 ' N ' HD11 ' A' ' 96' ' ' LEU . 53.3 Cg_endo . . . . . 0 C--N 1.341 0.17 0 C-N-CA 122.658 2.239 . . . . 0.0 112.311 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.41 ' CG1' ' HB3' ' A' ' 32' ' ' LEU . 85.1 t . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.773 0.32 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.3 mmm180 -78.34 133.62 37.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -73.83 90.29 1.89 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 55.2 tp60 -63.17 -50.83 68.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.887 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -131.61 65.99 1.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.47 171.48 0.6 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.11 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 47.7 mt -39.03 147.05 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.9 ptmm? -127.24 167.29 16.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -82.93 122.56 28.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.2 mp -113.82 168.31 9.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.906 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -136.1 112.46 9.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.448 HG12 ' N ' ' A' ' 21' ' ' LEU . 10.7 t -130.0 149.49 33.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.139 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.448 ' N ' HG12 ' A' ' 20' ' ' VAL . 4.8 tp -82.56 149.21 27.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.916 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -54.46 145.62 17.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.72 18.66 69.9 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.467 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -118.06 -143.41 7.34 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.495 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.429 ' CA ' HD12 ' A' ' 70' ' ' LEU . . . -141.8 143.75 33.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.833 0.349 . . . . 0.0 111.093 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -111.3 124.82 53.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.126 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 99.9 m -112.29 103.23 11.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.4 mp -96.57 118.47 33.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.407 ' CB ' ' O ' ' A' ' 63' ' ' LEU . 4.7 ptt-85 -132.92 147.41 52.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.3 p -146.95 141.76 26.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.3 t -104.34 145.76 12.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.41 ' HB3' ' CG1' ' A' ' 9' ' ' VAL . 5.0 mp -118.07 153.32 33.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 67.8 p -49.84 -40.84 43.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.0 m -123.22 176.15 6.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.83 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 66.3 t -105.49 85.09 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.125 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.479 ' HB1' ' CE2' ' A' ' 82' ' ' PHE . . . -107.01 143.63 34.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.479 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . . . -168.01 166.98 7.05 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.535 0.683 . . . . 0.0 111.11 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.565 ' O ' ' CE1' ' A' ' 82' ' ' PHE . 53.5 Cg_endo -69.71 177.83 27.38 Favored 'Cis proline' 0 C--O 1.232 0.175 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.357 -0.074 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.2 m -115.73 172.34 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.136 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 35.4 tttt -122.6 119.59 31.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.477 ' CZ3' HD21 ' A' ' 65' ' ' LEU . 21.5 m95 -108.7 118.46 36.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.946 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 16.6 p -139.58 152.26 46.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -133.69 104.82 6.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.64 -90.31 0.55 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.459 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -119.64 -58.41 1.9 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.76 0.314 . . . . 0.0 110.864 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -63.78 140.8 58.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.8 t -82.82 143.16 12.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.8 mt -89.31 134.58 34.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 54.9 mtp180 -136.42 145.35 51.29 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.62 0.724 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 144.1 53.02 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.696 2.264 . . . . 0.0 112.352 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -173.44 -125.75 0.86 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.448 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -98.96 -54.29 3.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.92 0.391 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.6 tmtm? -64.11 -25.54 68.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -120.36 -179.48 3.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.8 t -167.26 106.97 0.59 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.88 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.46 HD23 ' CD1' ' A' ' 41' ' ' TRP . 5.6 mp -108.66 131.67 54.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.429 ' HG3' ' N ' ' A' ' 58' ' ' GLN . 7.0 tpp85 -141.45 146.69 36.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.429 ' N ' ' HG3' ' A' ' 57' ' ' ARG . 31.7 tt0 -115.06 121.06 41.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.919 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -119.35 80.11 1.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.857 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 46.58 93.87 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.53 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 49.91 36.52 11.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.779 0.323 . . . . 0.0 111.093 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 4.0 ttp -143.26 118.74 10.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.442 HD21 ' N ' ' A' ' 63' ' ' LEU . 2.8 mm? -94.32 158.69 15.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.959 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -153.22 124.55 7.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.477 HD21 ' CZ3' ' A' ' 41' ' ' TRP . 50.5 tp -125.81 106.99 10.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.7 t -92.21 131.77 38.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.142 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 97.8 t -129.97 114.99 31.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.155 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -91.45 172.81 8.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.7 t30 53.5 51.79 14.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.429 HD12 ' CA ' ' A' ' 25' ' ' ALA . 13.0 mt -60.98 142.84 56.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.925 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 -139.96 152.49 67.89 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.6 0.714 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -6.44 18.63 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.663 2.242 . . . . 0.0 112.351 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -97.89 -22.79 16.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.932 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 75' ' ' SER . 0.9 OUTLIER -70.22 -36.47 74.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 74' ' ' ASP . 47.2 m -36.98 132.63 0.67 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -170.01 -138.94 2.61 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.463 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 65.1 ttp85 -127.67 116.97 21.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.799 0.333 . . . . 0.0 110.924 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -89.2 160.11 17.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.935 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 84.0 p -161.12 151.87 18.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 47.6 t -136.99 134.47 36.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 72.7 m -109.08 117.57 34.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.812 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.565 ' CE1' ' O ' ' A' ' 38' ' ' PRO . 7.5 t80 -164.3 142.25 6.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 57.11 31.79 62.28 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.524 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 66.53 26.18 9.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.802 0.334 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -117.03 159.3 22.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 31.3 m -143.55 109.91 5.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.176 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 9.8 t -100.59 159.46 15.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.122 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 98.7 p -143.73 131.79 21.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -138.29 176.19 8.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.12 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 4.5 m -131.12 156.26 45.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.155 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 48.1 tp -128.79 142.54 50.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 62.1 m -117.78 132.67 56.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.151 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 89.0 t -129.81 123.2 56.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.148 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 25.1 m -88.04 129.13 35.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.128 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.38 120.28 17.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.084 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.46 HD11 ' N ' ' A' ' 97' ' ' PRO . 0.5 OUTLIER -75.02 146.41 82.39 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.569 0.7 . . . . 0.0 110.91 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.46 ' N ' HD11 ' A' ' 96' ' ' LEU . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.164 0 C-N-CA 122.713 2.275 . . . . 0.0 112.312 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 85.9 t . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.807 0.336 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 69.3 mtt-85 -101.84 163.47 12.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -74.02 93.78 2.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.37 -62.05 1.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -118.59 57.05 0.87 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.55 177.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.3 mt -58.57 178.7 0.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -155.49 160.07 40.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -63.67 129.98 42.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.836 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.455 ' CD1' ' HG ' ' A' ' 28' ' ' LEU . 9.7 mt -123.11 137.01 55.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.401 ' C ' HG23 ' A' ' 20' ' ' VAL . 10.9 tt0 -112.68 110.37 20.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.401 HG23 ' C ' ' A' ' 19' ' ' GLU . 44.1 t -137.1 149.81 26.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.09 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.3 tt -75.62 152.03 37.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -61.73 179.57 0.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 52.16 44.89 57.59 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.513 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -151.36 -143.24 3.67 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.8 -0.715 . . . . 0.0 112.515 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -139.49 137.46 35.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.777 0.322 . . . . 0.0 111.093 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.444 ' N ' HD12 ' A' ' 70' ' ' LEU . . . -113.76 113.34 24.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.114 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 46.1 m -105.58 120.73 42.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.165 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.455 ' HG ' ' CD1' ' A' ' 18' ' ' LEU . 6.7 mp -99.19 164.79 12.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 42.5 mtm180 -151.99 151.6 31.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 14.6 p -173.83 128.05 0.39 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 93.8 t -104.19 141.39 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.572 ' CD2' ' N ' ' A' ' 32' ' ' LEU . 0.7 OUTLIER -92.82 155.19 17.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 45.4 t -45.0 -24.72 0.25 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 t -158.12 152.24 24.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 39.0 t -53.14 107.34 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.12 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.96 136.6 37.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.13 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.475 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . . . -173.87 166.92 2.54 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.599 0.714 . . . . 0.0 111.121 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.475 ' HA ' ' CB ' ' A' ' 37' ' ' ALA . 54.3 Cg_endo -69.71 176.33 32.88 Favored 'Cis proline' 0 C--N 1.341 0.184 0 C-N-CA 122.724 -1.782 . . . . 0.0 112.326 -0.016 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 40.4 t -117.11 150.0 19.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -104.56 138.36 41.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.545 ' CZ3' HD23 ' A' ' 65' ' ' LEU . 35.4 m95 -114.09 107.59 15.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.942 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 15.7 p -118.66 124.78 48.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -132.14 95.62 3.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 81.78 -162.16 42.81 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.504 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -48.48 -65.92 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.838 0.352 . . . . 0.0 110.92 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -71.26 170.11 13.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.4 p -118.07 145.44 23.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.174 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 30.1 mt -84.77 151.01 24.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.954 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 52.3 mtp180 -140.66 147.83 50.48 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.597 0.713 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 134.53 28.22 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.7 2.266 . . . . 0.0 112.304 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -176.12 -128.22 1.1 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.5 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -89.19 -49.66 6.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.902 0.382 . . . . 0.0 110.85 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -62.27 -59.24 5.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -106.53 161.8 14.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.952 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.8 m -136.77 110.93 8.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.4 mt -113.99 114.66 26.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.962 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.472 ' HB3' ' CZ ' ' A' ' 57' ' ' ARG . 4.9 ptp180 -139.06 124.59 19.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 4.9 tm0? -98.52 144.24 28.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 60' ' ' GLY . 64.3 mt-10 -157.25 129.55 7.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.94 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 59' ' ' GLU . . . 34.78 60.85 0.63 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.439 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 52.65 47.18 25.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.798 0.332 . . . . 0.0 111.079 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 12.4 tpp -144.36 126.95 16.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -98.93 161.53 13.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -155.49 113.68 3.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.545 HD23 ' CZ3' ' A' ' 41' ' ' TRP . 8.7 tp -116.98 106.75 13.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 82.2 t -94.01 122.47 45.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 85.7 t -116.32 104.68 17.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.146 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 -82.0 162.83 22.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.843 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.41 ' O ' ' NH2' ' A' ' 71' ' ' ARG . 0.2 OUTLIER 54.09 53.66 10.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.444 HD12 ' N ' ' A' ' 26' ' ' ALA . 20.4 mt -62.58 156.25 23.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.913 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.41 ' NH2' ' O ' ' A' ' 69' ' ' ASN . 4.0 ptp85 -155.07 151.3 22.67 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.647 0.737 . . . . 0.0 110.859 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -19.72 35.56 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.723 2.282 . . . . 0.0 112.324 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -83.14 -1.33 52.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.926 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -99.44 -23.46 15.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.2 m -41.65 103.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.823 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -141.93 -150.33 5.34 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.493 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -116.4 106.23 13.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.843 0.354 . . . . 0.0 110.846 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -92.31 125.35 36.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 68.8 p -122.18 155.87 34.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.863 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 39.2 t -130.89 127.5 38.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.873 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 13.8 t -85.89 122.47 30.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -131.2 91.66 3.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.86 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 64.95 -94.08 0.17 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.492 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.78 -37.26 4.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.807 0.337 . . . . 0.0 110.908 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -84.58 151.19 24.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 88.4 m -138.28 131.43 30.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.171 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.9 t -102.94 157.89 16.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.101 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 89.0 p -150.21 128.94 12.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.837 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.98 167.53 18.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.099 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 35.5 m -117.87 131.21 56.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.157 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 15.9 tp -101.3 128.42 47.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 98.3 m -98.93 127.63 44.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.158 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 86.2 t -126.61 127.91 70.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 28.6 m -100.51 129.91 46.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.164 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.83 126.52 31.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.125 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.464 HD12 ' N ' ' A' ' 97' ' ' PRO . 0.5 OUTLIER -64.32 147.09 97.47 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.613 0.72 . . . . 0.0 110.905 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.464 ' N ' HD12 ' A' ' 96' ' ' LEU . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.181 0 C-N-CA 122.674 2.249 . . . . 0.0 112.329 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 26.8 t . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.814 0.34 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.3 mtt-85 -112.95 161.75 16.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.444 ' CZ ' HG22 ' A' ' 87' ' ' THR . 10.6 m-85 -89.7 100.45 13.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.881 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -60.63 -52.02 66.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.934 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 14' ' ' ALA . 18.6 tp10 -131.27 46.44 2.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 13' ' ' GLU . . . -34.36 151.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.103 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.9 mt -48.46 153.41 0.76 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.3 mtpt -135.26 -179.01 5.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -61.1 147.12 44.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.849 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.4 mt -142.72 158.69 43.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.956 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -135.87 128.67 31.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.5 m -147.39 166.7 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.099 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.449 HD23 ' N ' ' A' ' 22' ' ' GLU . 2.7 tt -100.36 149.2 23.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.483 ' C ' ' CD ' ' A' ' 22' ' ' GLU . 0.2 OUTLIER -57.24 166.7 1.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.26 19.22 45.54 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.468 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -120.54 -148.74 8.12 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.466 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -140.45 143.23 35.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.85 0.357 . . . . 0.0 111.06 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -110.97 134.92 52.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 82.1 m -116.12 98.55 6.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.175 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.469 HD22 ' CD2' ' A' ' 78' ' ' TYR . 5.5 mp -95.9 107.81 20.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.3 ptt-85 -117.11 158.69 23.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 26.5 p -162.06 149.27 14.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 68.0 t -106.84 134.87 47.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.106 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.533 HD13 ' CE2' ' A' ' 82' ' ' PHE . 8.3 mt -100.75 155.22 18.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.956 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.9 t -70.76 -35.44 72.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.3 t -129.39 157.0 43.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.845 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 17.6 t -86.03 95.71 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.116 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.54 ' HB2' ' CZ ' ' A' ' 82' ' ' PHE . . . -122.57 150.99 41.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.134 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.47 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . . . -168.86 167.02 6.14 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.618 0.723 . . . . 0.0 111.088 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.47 ' HA ' ' CB ' ' A' ' 37' ' ' ALA . 53.3 Cg_endo -69.76 175.01 38.25 Favored 'Cis proline' 0 C--N 1.342 0.219 0 C-N-CA 122.65 -1.813 . . . . 0.0 112.361 -0.04 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.2 t -108.07 140.11 27.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.075 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.2 tttp -107.83 138.19 44.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.559 ' CD1' HD21 ' A' ' 56' ' ' LEU . 28.1 m95 -120.08 111.06 17.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.3 p -106.3 153.26 22.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.4 ' O ' ' C ' ' A' ' 44' ' ' GLY . 19.2 t80 -133.51 147.16 51.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.937 -179.776 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 43' ' ' TYR . . . -38.1 -49.68 2.13 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.476 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -66.48 -72.49 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.871 0.367 . . . . 0.0 110.915 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.461 ' CG ' ' N ' ' A' ' 47' ' ' VAL . 1.1 t-20 -150.68 165.17 34.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.461 ' N ' ' CG ' ' A' ' 46' ' ' ASN . 11.5 p -50.53 151.43 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.097 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.0 mt -106.42 148.9 27.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 60.1 mtm180 -132.1 146.08 60.13 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.569 0.699 . . . . 0.0 110.878 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 145.81 58.15 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.699 2.266 . . . . 0.0 112.31 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 174.54 -115.07 0.53 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.458 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -105.88 -62.18 1.4 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.89 0.376 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.65 -37.85 13.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -122.65 164.77 17.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.942 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.1 t -143.1 119.06 10.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.559 HD21 ' CD1' ' A' ' 41' ' ' TRP . 4.2 mp -113.83 127.23 55.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.952 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 16.5 ttm180 -148.22 122.15 9.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -100.2 125.16 46.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.932 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -128.57 82.45 2.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 61' ' ' ALA . . . 52.13 101.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.466 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 60' ' ' GLY . . . 37.17 42.43 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.75 0.31 . . . . 0.0 111.085 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.7 ttp -147.26 139.15 24.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.8 mt -132.3 152.16 51.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -154.78 113.41 3.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.535 HD22 ' CZ3' ' A' ' 41' ' ' TRP . 36.6 tp -108.39 125.76 52.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.3 t -110.48 130.72 63.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.2 t -124.64 107.2 17.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 -86.9 170.57 11.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.5 m120 54.05 49.39 18.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 16.2 mt -65.18 172.55 2.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.935 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.6 mtp180 -162.35 157.72 19.62 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.598 0.713 . . . . 0.0 110.893 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -1.86 9.19 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.702 2.268 . . . . 0.0 112.337 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 17.2 mm100 -105.72 -37.88 6.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 75' ' ' SER . 0.8 OUTLIER -55.21 -41.16 71.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.805 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 74' ' ' ASP . 21.4 p -37.45 113.15 0.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.731 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -143.9 -124.94 1.85 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.514 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -129.85 108.56 10.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.817 0.341 . . . . 0.0 110.86 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.469 ' CD2' HD22 ' A' ' 28' ' ' LEU . 3.6 m-85 -87.17 130.45 34.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.2 m -142.63 157.01 45.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.85 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 9.8 t -141.58 130.24 22.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 50.4 m -89.02 107.01 18.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.54 ' CZ ' ' HB2' ' A' ' 36' ' ' ALA . 49.1 t80 -134.61 95.24 3.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 85.37 -141.38 18.97 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.494 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -85.45 -39.68 17.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.798 0.333 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -88.8 138.59 31.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 18.9 m -117.61 132.31 56.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' THR . . . . . 0.444 HG22 ' CZ ' ' A' ' 11' ' ' PHE . 14.0 t -90.28 157.86 17.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 94.9 p -153.79 125.76 7.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -130.55 175.83 8.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.097 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 47.6 m -134.67 145.22 48.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.2 tp -122.12 138.38 54.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 46.3 m -107.14 126.62 52.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 57.5 t -114.59 117.97 57.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.091 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 88.1 m -89.55 147.2 24.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.155 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -87.94 113.18 23.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.14 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.449 ' C ' ' CD1' ' A' ' 96' ' ' LEU . 0.5 OUTLIER -50.98 144.9 12.95 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.677 0.751 . . . . 0.0 110.911 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.44 ' N ' HD12 ' A' ' 96' ' ' LEU . 54.1 Cg_endo . . . . . 0 C--N 1.342 0.231 0 C-N-CA 122.644 2.229 . . . . 0.0 112.395 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 87.9 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.841 0.353 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -117.5 143.3 46.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -63.87 80.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.0 tp60 -48.87 -54.18 16.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -132.74 58.29 1.77 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.83 160.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.099 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.427 ' CD2' ' HB3' ' A' ' 28' ' ' LEU . 6.1 mt -52.52 -176.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 17' ' ' ASP . 1.9 pptp? -169.23 142.52 2.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 16' ' ' LYS . 0.4 OUTLIER -37.22 141.32 0.15 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 179.88 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 mp -123.13 156.31 35.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -126.36 110.93 13.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 73.5 t -133.7 151.89 33.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.165 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 12.1 tp -91.92 142.95 26.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -47.64 149.05 1.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.13 11.04 79.41 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.459 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.411 ' C ' HD12 ' A' ' 70' ' ' LEU . . . -118.98 -147.67 8.19 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.463 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -140.57 152.89 45.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.831 0.348 . . . . 0.0 111.096 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -113.91 124.64 52.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.086 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 94.5 m -116.54 136.91 52.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.117 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.427 ' HB3' ' CD2' ' A' ' 15' ' ' LEU . 7.2 mp -104.85 134.87 47.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 32.3 mtm180 -134.68 127.87 31.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 23.2 p -158.3 131.35 7.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 69.1 t -104.74 137.32 34.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.123 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.1 mt -105.23 160.74 14.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 42.3 t -47.65 -41.35 22.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.6 m -149.1 142.13 24.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.422 ' HB ' ' N ' ' A' ' 61' ' ' ALA . 2.4 p -53.11 136.62 14.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.161 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -158.26 151.17 22.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.473 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . . . -174.68 166.96 2.15 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.625 0.726 . . . . 0.0 111.114 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.473 ' HA ' ' CB ' ' A' ' 37' ' ' ALA . 53.9 Cg_endo -69.72 168.32 67.76 Favored 'Cis proline' 0 C--N 1.342 0.215 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.352 -0.035 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.6 t -112.83 152.27 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.163 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.0 tptm -109.14 130.26 55.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.561 ' CH2' ' HB2' ' A' ' 65' ' ' LEU . 38.7 m95 -109.77 161.09 15.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.903 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.8 m -149.43 133.76 17.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.464 ' CB ' HD23 ' A' ' 48' ' ' LEU . 0.5 OUTLIER -150.85 132.46 14.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.951 -179.789 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 43' ' ' TYR . . . 34.54 59.87 0.65 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.5 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 60.0 t30 52.83 48.33 22.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.873 0.368 . . . . 0.0 110.906 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -158.05 -176.4 5.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.2 p -115.71 135.5 55.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.089 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.466 HD11 ' CD2' ' A' ' 65' ' ' LEU . 70.5 mt -96.17 91.32 5.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 62.0 mtm180 -101.19 155.17 36.65 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.622 0.725 . . . . 0.0 110.886 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 161.22 46.79 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.706 2.271 . . . . 0.0 112.309 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 162.76 -137.98 5.11 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.524 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -87.35 -33.71 19.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.871 0.367 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.3 tptm -88.83 -39.2 14.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.943 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -118.97 173.84 6.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.948 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.2 m -157.3 144.63 18.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.821 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.462 HD11 ' CD1' ' A' ' 65' ' ' LEU . 8.6 mp -134.27 134.59 42.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.952 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 39.8 mtt180 -145.44 118.98 9.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.431 ' NE2' HD13 ' A' ' 63' ' ' LEU . 5.3 tp60 -91.49 130.21 37.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 60' ' ' GLY . 17.5 tt0 -127.59 81.37 2.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 59' ' ' GLU . . . 35.46 88.62 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.455 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.422 ' N ' ' HB ' ' A' ' 35' ' ' VAL . . . 59.69 50.79 6.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.782 0.325 . . . . 0.0 111.091 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 4.7 ttt -163.06 115.81 1.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.431 HD13 ' NE2' ' A' ' 58' ' ' GLN . 2.5 mm? -88.08 159.44 18.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -155.7 116.01 3.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.561 ' HB2' ' CH2' ' A' ' 41' ' ' TRP . 24.7 tp -126.1 104.62 8.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.954 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 55.7 t -86.59 129.47 38.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.145 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 15.7 t -119.71 117.21 53.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.136 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 86.6 mtt180 -105.64 164.41 11.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.9 m120 66.97 49.6 1.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.451 ' O ' ' CG ' ' A' ' 71' ' ' ARG . 12.7 mt -58.95 160.12 6.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.451 ' CG ' ' O ' ' A' ' 70' ' ' LEU . 15.3 mtm105 -161.13 152.76 16.18 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.607 0.718 . . . . 0.0 110.889 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -6.35 18.38 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.663 2.242 . . . . 0.0 112.347 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -107.4 -19.92 13.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.943 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -74.68 -25.71 59.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 67.3 m -49.61 105.33 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -138.05 -148.51 5.37 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.474 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 24.7 ttm180 -130.57 118.06 20.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.822 0.344 . . . . 0.0 110.837 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.613 ' CD1' ' N ' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -122.24 135.25 54.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 -179.873 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 69.4 p -129.28 146.72 51.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 2.7 t -99.87 129.02 45.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.854 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 51.8 p -101.04 117.33 34.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -143.83 121.0 11.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 67.16 -108.87 2.61 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.469 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -117.81 -33.47 4.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.749 0.309 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -85.75 154.46 21.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 95.2 m -144.92 134.37 23.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.165 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.8 t -108.82 136.93 47.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.205 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.9 t -120.82 138.21 54.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.864 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -132.18 170.9 14.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.087 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 75.8 m -131.28 147.87 52.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 32.4 tp -106.67 138.09 43.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 91.7 m -120.77 111.77 18.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.147 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 48.9 t -119.66 124.8 73.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.079 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 27.7 m -97.34 130.81 44.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.098 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.29 103.27 0.97 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.118 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.553 ' C ' ' CD1' ' A' ' 96' ' ' LEU . 0.4 OUTLIER -57.08 147.24 56.87 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.593 0.711 . . . . 0.0 110.899 -179.912 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.181 0 C-N-CA 122.648 2.232 . . . . 0.0 112.394 179.861 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.432 HG12 ' N ' ' A' ' 10' ' ' ARG . 75.1 t . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.819 0.342 . . . . 0.0 111.126 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.432 ' N ' HG12 ' A' ' 9' ' ' VAL . 5.5 mpt_? -117.94 157.53 26.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -71.96 93.89 1.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -73.63 -50.85 19.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -127.02 62.19 1.34 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.7 178.95 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.464 ' CD2' ' HB3' ' A' ' 28' ' ' LEU . 9.1 mt -63.17 162.06 12.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -146.42 147.46 31.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 179.848 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 16' ' ' LYS . 2.4 p30 -34.6 123.34 0.53 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.2 mt -107.53 157.41 18.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -136.93 126.65 25.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.2 m -156.49 167.17 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.09 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.477 HD23 ' N ' ' A' ' 22' ' ' GLU . 1.4 tt -98.5 149.18 22.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.477 ' N ' HD23 ' A' ' 21' ' ' LEU . 10.1 pt-20 -53.3 159.79 1.28 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.36 57.81 14.11 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.467 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -148.88 -147.45 4.53 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.459 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.406 ' CA ' HD12 ' A' ' 70' ' ' LEU . . . -141.0 115.5 9.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.82 0.343 . . . . 0.0 111.13 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.432 ' N ' HD12 ' A' ' 70' ' ' LEU . . . -121.25 120.95 36.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.102 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.7 t -110.13 149.86 29.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.137 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.464 ' HB3' ' CD2' ' A' ' 15' ' ' LEU . 6.0 mp -101.66 135.0 43.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 69.5 mtt180 -121.63 133.65 54.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 19.5 p -155.73 130.48 9.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.41 HG11 ' N ' ' A' ' 32' ' ' LEU . 79.1 t -107.18 145.47 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.093 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.418 HD21 ' CE2' ' A' ' 82' ' ' PHE . 4.7 mt -99.88 147.62 25.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 40.4 t -39.67 -44.38 1.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.832 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 36.9 t -148.37 163.09 38.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 88.7 t -44.05 115.46 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.91 126.9 15.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.099 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.485 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . . . -172.62 167.15 3.16 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.587 0.708 . . . . 0.0 111.111 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.485 ' HA ' ' CB ' ' A' ' 37' ' ' ALA . 53.3 Cg_endo -69.78 179.03 23.47 Favored 'Cis proline' 0 C--N 1.341 0.162 0 C-N-CA 122.679 -1.801 . . . . 0.0 112.334 0.002 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.411 ' CG2' HD21 ' A' ' 63' ' ' LEU . 50.2 t -125.91 147.22 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.3 tttt -105.48 125.41 50.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 45.6 m95 -114.05 102.66 10.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.907 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 44.1 t -118.73 128.3 54.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.678 ' CD1' ' CD1' ' A' ' 78' ' ' TYR . 16.7 t80 -110.79 102.52 11.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.894 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.94 -112.24 3.42 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.532 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 17.0 t30 -103.46 -60.16 1.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.853 0.358 . . . . 0.0 110.916 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 -73.83 114.77 12.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 8.6 p -60.35 143.91 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 60.0 mt -76.51 149.75 36.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.925 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 44.4 mtp180 -135.93 141.25 35.95 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.617 0.722 . . . . 0.0 110.851 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 146.88 61.64 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.671 2.247 . . . . 0.0 112.321 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 174.83 -94.33 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.488 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -125.53 -60.87 1.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.886 0.375 . . . . 0.0 110.878 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.4 ' HD2' ' CE2' ' A' ' 54' ' ' TYR . 6.8 tmtt? -58.44 -43.23 88.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.842 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.4 ' CE2' ' HD2' ' A' ' 53' ' ' LYS . 85.8 m-85 -107.81 149.22 28.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.949 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.2 m -136.25 130.54 33.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.437 ' N ' HD13 ' A' ' 56' ' ' LEU . 5.9 mp -129.99 124.69 33.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.2 tpt85 -125.0 107.88 11.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.853 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.8 tm0? -88.69 134.2 33.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -159.92 129.38 5.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 41.87 -111.61 0.33 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.481 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -122.89 30.72 6.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.784 0.325 . . . . 0.0 111.076 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -126.75 142.05 51.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.411 HD21 ' CG2' ' A' ' 39' ' ' VAL . 7.1 mt -128.73 152.42 48.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -147.8 115.09 6.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.7 tp -112.9 102.91 10.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.437 HG12 ' N ' ' A' ' 67' ' ' VAL . 91.6 t -79.73 141.28 15.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.093 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.437 ' N ' HG12 ' A' ' 66' ' ' VAL . 91.3 t -132.55 107.41 12.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.128 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 37.0 mtt-85 -92.53 167.85 11.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 49.2 t30 60.89 54.67 3.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.432 HD12 ' N ' ' A' ' 26' ' ' ALA . 34.4 mt -76.21 164.19 26.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.942 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 25.1 mtp180 -160.08 158.9 26.84 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.607 0.718 . . . . 0.0 110.885 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 3.25 2.92 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.65 2.233 . . . . 0.0 112.343 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 24.0 mm100 -109.57 -38.55 5.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 75' ' ' SER . 67.0 m-20 -51.85 -40.03 59.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.843 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 74' ' ' ASP . 4.0 m -34.51 108.48 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -141.97 -132.65 2.76 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.499 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.462 ' CZ ' ' HB3' ' A' ' 77' ' ' ARG . 20.5 ttp-105 -130.57 104.41 7.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.863 0.363 . . . . 0.0 110.921 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.678 ' CD1' ' CD1' ' A' ' 43' ' ' TYR . 49.1 m-85 -95.59 139.38 31.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 67.9 m -144.88 152.72 40.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 11.1 t -124.15 128.8 49.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 31.9 t -88.4 123.91 33.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.853 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.418 ' CE2' HD21 ' A' ' 32' ' ' LEU . 28.7 t80 -141.3 117.72 10.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 55.34 -102.57 0.17 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.453 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -119.16 -32.67 4.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.729 0.3 . . . . 0.0 110.879 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -85.68 148.01 26.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 85.7 m -130.88 152.89 49.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.096 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.3 t -121.83 158.87 27.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.136 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 88.2 p -151.21 132.94 14.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.837 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -133.02 170.35 15.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.116 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 35.8 m -132.32 125.25 30.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.104 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 34.6 tp -95.63 139.92 31.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.938 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 97.8 m -103.74 126.26 50.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 64.6 t -119.0 117.66 55.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.095 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 91.5 m -91.98 141.59 28.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.13 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -83.36 125.18 31.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.464 HD13 ' N ' ' A' ' 97' ' ' PRO . 0.5 OUTLIER -73.9 147.35 86.2 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.581 0.705 . . . . 0.0 110.906 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.464 ' N ' HD13 ' A' ' 96' ' ' LEU . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.154 0 C-N-CA 122.666 2.244 . . . . 0.0 112.336 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 55.5 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.798 0.333 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.424 ' NH1' ' HB3' ' A' ' 10' ' ' ARG . 4.5 mmm180 -99.58 129.07 45.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -58.56 89.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 38.7 tp60 -63.53 -66.1 0.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -122.57 68.5 0.96 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.2 174.35 0.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.066 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.2 mt -52.7 157.28 1.64 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.8 pttt -141.86 159.13 42.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -47.04 135.24 9.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.447 HD23 ' CG2' ' A' ' 20' ' ' VAL . 12.4 tp -128.54 144.34 51.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -113.2 118.2 34.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.447 ' CG2' HD23 ' A' ' 18' ' ' LEU . 16.5 t -142.96 153.31 17.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.076 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.2 tt -88.07 154.62 20.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -69.39 157.78 36.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.79 27.62 68.67 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.464 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -137.14 -139.63 3.94 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.479 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -137.16 145.62 43.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.773 0.32 . . . . 0.0 111.07 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -111.69 123.18 49.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.1 m -116.01 114.85 25.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.2 mp -105.12 161.08 14.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 63.5 mtm-85 -145.81 157.69 43.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 26.1 p -167.66 125.4 1.2 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 46.9 t -104.21 121.67 56.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 23.4 mt -84.59 174.19 10.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.946 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.7 t -57.33 -32.13 66.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.1 t -165.77 179.17 6.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 77.9 t -59.35 111.33 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.137 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.555 ' HB1' ' CZ ' ' A' ' 82' ' ' PHE . . . -135.0 119.51 18.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.069 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.469 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . . . -171.72 166.97 3.82 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.597 0.713 . . . . 0.0 111.059 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.469 ' HA ' ' CB ' ' A' ' 37' ' ' ALA . 53.8 Cg_endo -69.71 154.31 93.09 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.726 -1.781 . . . . 0.0 112.364 -0.026 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.0 t -105.37 162.28 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.172 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 44.6 tttm -110.86 148.36 32.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.566 ' CZ3' HD22 ' A' ' 65' ' ' LEU . 25.7 m95 -127.96 140.46 51.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 15.3 p -153.3 133.81 13.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.442 ' CD1' ' CE1' ' A' ' 78' ' ' TYR . 6.3 t80 -116.93 108.82 16.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.948 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.61 -99.18 0.72 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.484 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -128.04 45.37 2.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.825 0.345 . . . . 0.0 110.927 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -160.43 157.3 27.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.0 p -99.64 119.71 48.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.098 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 74.6 mt -72.51 136.66 45.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.408 ' NH1' ' HB2' ' A' ' 49' ' ' ARG . 16.7 mtm105 -125.08 143.9 45.58 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.637 0.732 . . . . 0.0 110.881 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 129.79 18.25 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.672 2.248 . . . . 0.0 112.304 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -160.3 -140.4 2.88 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.512 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -85.31 -38.66 18.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.932 0.396 . . . . 0.0 110.887 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.2 tptm -73.66 -64.2 1.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -83.46 150.13 26.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 26.6 m -132.9 98.78 4.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.442 HD13 ' N ' ' A' ' 56' ' ' LEU . 5.4 mp -108.41 100.91 10.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -105.37 108.48 20.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 23.2 tm0? -78.53 141.48 38.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -153.79 110.6 3.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.838 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 47.48 -123.13 8.16 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.465 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -102.69 53.3 0.78 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.786 0.327 . . . . 0.0 111.088 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 22.2 ttp -155.43 140.14 17.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.527 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.7 OUTLIER -121.66 132.85 54.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -122.39 135.81 54.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.84 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.566 HD22 ' CZ3' ' A' ' 41' ' ' TRP . 9.9 tp -135.46 116.79 14.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 73.7 t -110.0 115.65 50.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.076 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.0 t -113.97 107.24 22.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.111 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -80.6 179.36 7.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.837 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 56.32 45.42 22.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 12.3 mt -60.8 153.55 24.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 40.2 mtt-85 -149.33 153.26 37.21 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.612 0.72 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -6.64 19.07 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.71 2.273 . . . . 0.0 112.322 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -113.62 -29.84 7.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -55.84 -40.98 73.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.2 p -39.87 150.46 0.05 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.816 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -167.45 -125.23 0.76 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.474 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 36.3 ttp180 -128.67 99.53 5.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.878 0.37 . . . . 0.0 110.871 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.442 ' CE1' ' CD1' ' A' ' 43' ' ' TYR . 63.5 m-85 -90.02 107.78 19.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.0 p -127.34 124.42 38.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 36.0 t -91.23 136.64 32.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.919 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.3 m -106.42 132.57 52.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.555 ' CZ ' ' HB1' ' A' ' 36' ' ' ALA . 28.2 t80 -163.56 135.81 5.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 56.34 -116.6 7.7 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.489 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -115.19 -24.27 8.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.733 0.301 . . . . 0.0 110.862 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 26.8 mp0 -90.46 155.22 19.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 87.8 m -144.25 126.49 15.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.6 t -99.8 152.44 20.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.137 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 83.5 p -139.56 136.32 34.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -139.08 166.67 23.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.112 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 58.6 m -128.08 135.58 50.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.166 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 15.0 tp -99.67 125.44 45.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.955 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 55.3 m -95.36 106.42 18.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.126 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 59.4 t -96.78 118.46 43.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.142 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.8 m -85.12 124.57 31.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.112 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 96' ' ' LEU . . . -75.46 117.5 17.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.119 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 95' ' ' ALA . 9.8 mt -35.75 145.48 0.22 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.627 0.727 . . . . 0.0 110.913 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.342 0.215 0 C-N-CA 122.716 2.277 . . . . 0.0 112.325 179.88 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 56.0 t . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.827 0.346 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.4 mtm105 -76.27 -175.03 3.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -124.56 86.95 2.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 46.2 tp60 -62.96 -53.44 54.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.871 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -132.17 74.54 1.59 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.871 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.87 178.49 0.8 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.101 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.1 mt -55.93 148.28 17.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.955 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.12 151.33 51.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -42.0 154.79 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.5 mt -136.88 150.68 48.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -128.82 126.26 39.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.478 ' CG2' ' N ' ' A' ' 21' ' ' LEU . 2.6 p -157.17 160.18 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.136 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.478 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 3.2 tp -107.06 131.6 53.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 21' ' ' LEU . 9.8 tp10 -37.78 125.7 1.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 112.42 41.08 1.07 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.475 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -160.53 -144.68 4.05 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.479 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -139.58 153.17 47.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.783 0.325 . . . . 0.0 111.116 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -118.24 130.11 55.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.128 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 26.2 m -122.58 127.3 49.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.6 mp -109.11 132.45 54.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.4 mtm105 -124.26 131.84 53.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.5 p -150.55 131.68 14.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.849 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 46.9 t -103.45 136.06 38.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.191 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 22.2 mt -95.5 146.6 24.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 t -45.59 -31.79 2.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.1 m -140.89 174.45 10.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.831 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 84.6 t -85.11 95.65 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.147 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.03 129.9 38.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.473 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . . . -174.96 166.97 2.01 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.609 0.718 . . . . 0.0 111.061 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.473 ' HA ' ' CB ' ' A' ' 37' ' ' ALA . 54.0 Cg_endo -69.75 -179.9 20.43 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.343 -0.014 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.9 m -123.01 175.32 6.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.7 tptp -110.82 122.18 47.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 52.8 m95 -99.98 160.11 14.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.921 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 46.5 t -152.28 119.93 6.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.443 ' O ' ' C ' ' A' ' 44' ' ' GLY . 4.3 t80 -146.89 111.13 5.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 43' ' ' TYR . . . 34.9 37.27 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.518 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 26.5 t30 -171.19 178.85 3.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.878 0.37 . . . . 0.0 110.849 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -70.74 -63.29 1.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 8.3 p -144.07 139.83 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.138 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 38.3 mt -88.58 146.2 25.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 47.9 mtp180 -124.26 143.99 44.38 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.596 0.712 . . . . 0.0 110.822 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 145.13 55.97 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.653 2.235 . . . . 0.0 112.372 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -179.75 -146.99 7.14 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.489 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -80.62 -46.61 15.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.874 0.369 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.1 tptt -61.32 -44.91 96.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -111.89 172.15 7.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.9 m -154.02 110.37 3.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.848 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.5 mp -105.7 109.32 21.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 36.4 ttp180 -126.03 115.46 19.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.461 ' OE1' ' CD1' ' A' ' 63' ' ' LEU . 26.5 tp60 -85.79 137.71 32.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -133.35 82.55 2.0 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.21 -97.43 0.59 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.495 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.63 31.71 5.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.785 0.326 . . . . 0.0 111.137 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 18.1 tmm? -134.75 136.81 42.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.461 ' CD1' ' OE1' ' A' ' 58' ' ' GLN . 2.4 mm? -101.57 139.17 37.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.457 ' OE1' ' C ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -128.65 127.07 41.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.916 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.8 tp -131.85 123.6 27.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.4 ' C ' HG22 ' A' ' 67' ' ' VAL . 56.6 t -111.63 148.73 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.4 HG22 ' C ' ' A' ' 66' ' ' VAL . 49.0 t -136.83 105.34 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 46.7 mtp180 -84.07 155.86 22.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 64.09 48.99 2.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 85.9 mt -53.92 152.41 5.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 84.3 mtm180 -143.86 151.87 54.08 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.601 0.715 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -2.43 10.16 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.696 2.264 . . . . 0.0 112.322 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -106.13 -26.45 11.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.1 -39.99 88.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 50.5 p -45.6 101.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.838 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -133.06 -120.41 2.12 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.504 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 19.7 ttm180 -129.0 94.3 3.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.851 0.358 . . . . 0.0 110.929 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.405 ' CE2' ' CG ' ' A' ' 43' ' ' TYR . 75.9 m-85 -87.83 103.88 16.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 82.7 p -117.36 145.22 44.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.834 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.9 t -118.2 110.53 17.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.858 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 70.6 m -97.63 127.95 43.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -162.75 109.63 1.23 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 91.99 -105.08 3.25 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.447 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -126.63 -41.08 1.88 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.798 0.332 . . . . 0.0 110.85 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -84.85 152.66 23.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 83.1 m -144.85 136.21 25.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.2 t -116.96 161.63 19.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.156 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 76.6 p -141.66 151.65 43.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.857 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -141.35 174.5 10.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.079 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 15.8 m -134.73 150.78 50.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 54.4 tp -115.81 136.47 53.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 40.0 m -103.46 112.0 24.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.188 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 59.9 t -122.79 108.7 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.164 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 27.1 m -90.49 135.73 33.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.76 121.7 13.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.084 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.406 ' CD2' ' HD2' ' A' ' 97' ' ' PRO . 13.8 mt -40.21 152.9 0.21 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.609 0.719 . . . . 0.0 110.906 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.406 ' HD2' ' CD2' ' A' ' 96' ' ' LEU . 53.1 Cg_endo . . . . . 0 C--N 1.341 0.161 0 C-N-CA 122.687 2.258 . . . . 0.0 112.305 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.46 HG13 ' N ' ' A' ' 10' ' ' ARG . 89.6 t . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.822 0.344 . . . . 0.0 111.09 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.46 ' N ' HG13 ' A' ' 9' ' ' VAL . 55.9 mtt-85 -104.98 149.91 25.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -74.94 104.9 5.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.478 ' HG3' ' N ' ' A' ' 13' ' ' GLU . 1.8 pt20 -83.86 -36.54 23.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.931 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.478 ' N ' ' HG3' ' A' ' 12' ' ' GLN . 8.2 mm-40 -134.97 50.87 2.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -45.47 165.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.123 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.6 mt -54.0 173.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.929 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.503 ' O ' ' CD1' ' A' ' 18' ' ' LEU . 32.8 mtmt -154.41 134.48 13.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.912 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -40.11 119.21 1.0 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.861 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.503 ' CD1' ' O ' ' A' ' 16' ' ' LYS . 3.0 mp -110.06 164.47 12.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.406 ' C ' HG23 ' A' ' 20' ' ' VAL . 1.6 tm-20 -128.07 122.74 32.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.406 HG23 ' C ' ' A' ' 19' ' ' GLU . 97.3 t -141.72 155.31 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.4 tt -90.06 147.55 23.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.938 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -60.54 142.63 55.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.52 37.84 8.58 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -149.25 -141.86 3.5 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.544 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -142.19 141.23 32.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.818 0.342 . . . . 0.0 111.09 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -112.89 116.87 30.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.086 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 25.3 m -102.31 113.21 26.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.1 mp -92.88 142.06 27.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 55.6 mtt180 -126.38 147.6 49.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 27.1 p -172.78 127.93 0.49 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.421 HG12 ' N ' ' A' ' 32' ' ' LEU . 59.7 t -103.37 146.71 10.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.522 HD21 ' CE2' ' A' ' 82' ' ' PHE . 8.8 mt -103.89 148.24 26.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.6 t -38.23 -43.55 0.79 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.826 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 81.7 p -139.26 172.32 12.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.8 t -75.49 95.96 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.146 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -124.73 135.33 52.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.059 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.487 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . . . -175.07 167.45 1.9 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.576 0.703 . . . . 0.0 111.106 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.487 ' HA ' ' CB ' ' A' ' 37' ' ' ALA . 54.4 Cg_endo -69.71 -179.52 19.3 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.347 -0.021 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.1 m -120.33 176.16 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.108 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 39.5 tttt -126.58 124.82 40.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.473 ' CZ3' HD23 ' A' ' 65' ' ' LEU . 62.5 m95 -110.15 112.5 24.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.1 p -127.04 125.16 40.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -116.04 94.12 4.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.37 -152.56 43.43 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.488 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 23.2 m-20 -49.57 -58.96 4.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.827 0.346 . . . . 0.0 110.872 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -70.64 171.23 10.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.1 t -119.16 132.91 67.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.127 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.52 HD23 ' CE2' ' A' ' 54' ' ' TYR . 81.5 mt -68.33 118.88 12.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.923 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.2 mmm180 -114.01 145.98 34.71 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.599 0.714 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 155.77 65.1 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.702 2.268 . . . . 0.0 112.318 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 150.89 -120.2 1.08 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.519 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -99.85 -43.93 6.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.83 0.348 . . . . 0.0 110.863 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.455 ' CG ' ' CE2' ' A' ' 54' ' ' TYR . 17.0 tptm -54.34 -53.59 51.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . 0.52 ' CE2' HD23 ' A' ' 48' ' ' LEU . 12.8 m-85 -125.29 171.89 10.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.944 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.1 t -134.29 119.18 18.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.82 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 28.9 mt -113.19 93.52 4.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.953 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 20.2 ttp180 -102.46 118.09 36.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 36.3 tp60 -89.04 127.57 35.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -141.08 124.3 16.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 41.73 -112.22 0.38 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.488 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -120.54 35.3 4.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.745 0.307 . . . . 0.0 111.083 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.1 ttm -137.23 143.13 42.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . 0.439 HD22 ' N ' ' A' ' 63' ' ' LEU . 3.2 mm? -106.95 151.07 25.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.894 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -135.82 124.15 23.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.473 HD23 ' CZ3' ' A' ' 41' ' ' TRP . 4.5 tp -126.88 114.89 18.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 91.0 t -104.13 131.17 53.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.4 t -117.22 108.05 23.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.105 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 26.1 mtp85 -87.14 162.79 17.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.843 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 64.44 51.76 1.96 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 81.9 mt -64.53 153.92 37.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 26.0 mmm180 -147.36 156.64 46.02 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.577 0.703 . . . . 0.0 110.9 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -19.33 36.37 Favored 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.709 2.273 . . . . 0.0 112.366 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 18.1 pm0 -102.26 -24.89 13.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -56.23 -37.99 70.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.7 m -40.39 112.42 0.28 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -137.4 -141.35 4.21 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.486 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 18.8 ttp180 -116.71 101.94 9.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.785 0.326 . . . . 0.0 110.894 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -90.14 124.35 34.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 68.1 m -123.83 134.83 53.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 2.9 t -110.73 121.24 44.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.3 t -100.28 131.95 45.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.522 ' CE2' HD21 ' A' ' 32' ' ' LEU . 1.2 t80 -164.29 117.74 1.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 79.65 -115.58 4.11 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.488 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -113.93 -41.76 3.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.771 0.319 . . . . 0.0 110.904 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -82.65 159.05 22.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 38.8 m -145.82 117.72 8.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.177 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.8 t -94.42 156.28 16.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.163 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 97.8 p -141.29 136.52 31.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -134.91 175.22 9.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.064 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 96.1 m -128.21 144.45 51.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 21.5 tp -110.75 138.37 47.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.941 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 47.2 m -106.57 129.97 54.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.147 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 52.7 t -126.3 123.06 62.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.171 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 25.4 m -93.04 129.22 39.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.146 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 96' ' ' LEU . . . -75.5 124.54 27.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.078 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.45 ' C ' ' O ' ' A' ' 95' ' ' ALA . 37.7 mt -34.43 148.39 0.1 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.609 0.718 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.342 0.198 0 C-N-CA 122.69 2.26 . . . . 0.0 112.353 179.888 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.7 m -118.86 172.33 7.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.879 0.371 . . . . 0.0 110.853 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 t -79.99 -56.83 3.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.826 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.29 38.08 0.17 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.518 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.7 m 43.6 44.61 5.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.912 0.387 . . . . 0.0 110.867 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.1 t -59.47 -62.04 2.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.905 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.64 146.26 4.45 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.524 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 155.74 65.17 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.697 2.265 . . . . 0.0 112.336 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 22.2 t -104.61 101.45 12.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.151 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -65.24 163.36 15.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.526 ' CE1' HG23 ' A' ' 87' ' ' THR . 10.7 m-85 -110.92 87.69 2.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.3 tp60 -59.89 -55.42 34.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -133.25 73.8 1.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.72 -178.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.155 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.4 mt -70.25 139.2 52.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.933 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.4 mmtp -117.89 165.92 13.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -52.03 132.59 32.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.421 ' CD1' ' HG ' ' A' ' 28' ' ' LEU . 7.1 mt -113.58 145.65 40.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.918 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -120.82 111.83 18.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.425 HG22 ' CD1' ' A' ' 70' ' ' LEU . 1.0 OUTLIER -142.22 152.26 18.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.105 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.426 HD23 ' N ' ' A' ' 22' ' ' GLU . 5.7 tt -101.61 147.8 25.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.426 ' N ' HD23 ' A' ' 21' ' ' LEU . 18.6 tt0 -58.31 123.13 15.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 124.11 27.62 1.35 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.478 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -156.3 -144.33 3.9 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.511 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -137.93 146.25 43.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.778 0.323 . . . . 0.0 111.105 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -112.89 122.02 46.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.112 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' THR . . . . . 0.407 ' CG2' ' HG2' ' A' ' 64' ' ' GLU . 45.4 m -118.92 109.5 16.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.143 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.421 ' HG ' ' CD1' ' A' ' 18' ' ' LEU . 2.6 mp -82.07 158.75 23.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 50.6 mtm180 -144.56 144.66 31.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.5 p -162.42 132.77 4.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 99.1 t -104.3 128.48 57.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.7 mt -83.76 158.4 21.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.0 t -68.16 -25.37 65.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.7 t -142.2 149.71 40.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.3 t -75.66 112.54 13.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.098 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.64 152.35 36.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.471 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . . . -174.95 166.94 2.02 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.59 0.709 . . . . 0.0 111.075 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.471 ' HA ' ' CB ' ' A' ' 37' ' ' ALA . 53.4 Cg_endo -69.79 174.49 40.45 Favored 'Cis proline' 0 C--O 1.231 0.148 0 C-N-CA 122.74 -1.775 . . . . 0.0 112.302 0.028 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.495 ' CG1' ' N ' ' A' ' 40' ' ' LYS . 94.7 t -112.62 163.31 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.495 ' N ' ' CG1' ' A' ' 39' ' ' VAL . 20.5 tttt -113.12 136.96 52.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.967 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.504 ' CD1' HD21 ' A' ' 56' ' ' LEU . 33.7 m95 -120.45 128.48 53.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.938 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.0 p -133.81 146.29 50.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.94 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -141.64 106.47 4.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 85.16 -101.67 2.54 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.488 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -114.91 -55.24 2.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.858 0.361 . . . . 0.0 110.908 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -73.31 163.09 28.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 8.1 p -94.42 136.59 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 97.2 mt -73.17 147.21 45.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 49.5 mtt180 -132.34 146.51 61.87 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.598 0.713 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 130.78 19.88 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.677 2.251 . . . . 0.0 112.36 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -172.94 -143.2 4.1 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.492 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -81.09 -56.96 3.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.874 0.369 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.4 tptm -51.61 -51.2 57.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -114.34 152.11 31.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.3 t -135.58 107.42 7.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.82 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.504 HD21 ' CD1' ' A' ' 41' ' ' TRP . 2.8 mt -98.6 137.35 37.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 24.9 mmt-85 -141.18 135.74 31.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.3 tm0? -123.94 132.64 53.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.946 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -158.97 117.38 2.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 45.82 76.42 0.13 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.471 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 40.19 49.58 2.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.755 0.312 . . . . 0.0 111.103 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 7.7 ttt -145.23 129.74 17.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.451 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 1.9 mm? -110.7 158.93 18.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.941 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.415 ' OE1' ' C ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -151.77 110.52 3.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.5 tp -115.6 112.27 21.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 48.9 t -95.8 144.4 10.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.117 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.7 t -131.89 107.77 13.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.102 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 23.1 mmt180 -85.9 164.34 17.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 58.47 45.52 16.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.425 ' CD1' HG22 ' A' ' 20' ' ' VAL . 13.0 mt -49.66 126.94 14.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 39.4 mtp85 -130.6 154.02 81.61 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.648 0.737 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -3.84 12.8 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.678 2.252 . . . . 0.0 112.364 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -107.9 -4.92 17.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -82.48 -29.69 30.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 69.5 m -48.31 114.09 0.88 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -146.39 -138.39 3.18 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.472 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -125.79 97.77 5.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.839 0.352 . . . . 0.0 110.947 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -90.89 107.49 19.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.9 p -117.19 129.93 56.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 23.3 t -96.46 123.35 40.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 41.7 m -94.31 107.87 19.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.843 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -152.16 124.65 8.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 83.45 -138.32 17.53 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.45 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -101.52 -27.18 13.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.756 0.313 . . . . 0.0 110.874 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -101.36 159.64 15.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 17.4 m -131.62 144.33 50.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.526 HG23 ' CE1' ' A' ' 11' ' ' PHE . 10.3 t -112.54 162.21 15.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 45.2 t -155.02 136.87 14.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.828 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -138.21 173.1 11.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.061 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.457 HG23 ' N ' ' A' ' 91' ' ' LEU . 90.8 m -130.38 139.97 50.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.196 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.457 ' N ' HG23 ' A' ' 90' ' ' THR . 34.1 tp -102.66 147.28 27.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.897 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 56.6 m -114.58 116.12 28.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.136 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 62.0 t -123.28 114.11 40.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.126 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 8.0 m -94.04 128.64 40.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 96' ' ' LEU . . . -66.48 119.8 12.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.091 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.429 ' C ' ' O ' ' A' ' 95' ' ' ALA . 5.3 mt -35.82 144.0 0.26 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.556 0.694 . . . . 0.0 110.94 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.69 -2.4 10.06 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.684 2.256 . . . . 0.0 112.311 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.4 t 56.86 48.77 15.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.824 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -74.14 -158.19 5.56 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.499 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 2.76 3.24 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.689 2.259 . . . . 0.0 112.368 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 16.4 m -51.16 140.36 16.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 80.6 p -64.07 -61.82 2.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.852 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.472 179.98 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 3' ' ' SER . 1.3 t -93.58 168.54 10.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.878 0.37 . . . . 0.0 110.896 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 2' ' ' SER . 62.6 p -35.18 118.25 0.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.42 122.82 5.44 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.481 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 p -129.22 174.83 9.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.875 0.369 . . . . 0.0 110.854 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 m -152.5 122.86 7.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.91 156.93 8.35 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.488 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -177.45 1.89 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.667 2.245 . . . . 0.0 112.371 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.2 t -65.55 105.05 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.111 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -74.07 143.78 45.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -81.57 92.94 6.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -63.04 -57.26 11.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -130.02 66.19 1.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.47 172.42 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.072 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.7 mt -49.38 168.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.7 mtmt -140.79 171.73 13.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -76.35 123.13 25.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.6 mp -121.71 151.61 40.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -136.92 124.11 21.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.438 ' CG1' ' N ' ' A' ' 21' ' ' LEU . 98.2 t -142.13 158.74 20.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.438 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 2.4 tp -83.87 143.59 29.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -51.53 166.85 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.69 36.27 92.12 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.506 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -144.23 -145.99 4.44 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.526 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -142.03 143.99 33.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.826 0.346 . . . . 0.0 111.103 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -116.85 114.74 24.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.112 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 12.0 m -104.53 105.47 15.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.465 ' N ' HD12 ' A' ' 28' ' ' LEU . 2.8 mp -91.15 150.94 21.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 26.2 mtt85 -139.51 151.99 46.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.0 p -164.15 139.46 6.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 82.3 t -115.33 143.99 23.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.6 mp -110.1 156.72 20.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.953 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.1 t -53.46 -35.81 60.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.839 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.6 m -135.87 172.24 13.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.9 t -92.2 105.44 16.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.94 132.51 34.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.098 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.47 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . . . -161.54 167.02 13.77 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.605 0.717 . . . . 0.0 111.1 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.47 ' HA ' ' CB ' ' A' ' 37' ' ' ALA . 54.3 Cg_endo -69.65 174.32 40.66 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.728 -1.78 . . . . 0.0 112.381 -0.108 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.416 HG13 ' N ' ' A' ' 40' ' ' LYS . 30.5 t -115.4 158.05 15.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.115 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.416 ' N ' HG13 ' A' ' 39' ' ' VAL . 59.3 tttt -106.76 120.07 41.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.927 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.531 ' CD1' HD21 ' A' ' 56' ' ' LEU . 21.1 m95 -97.43 152.78 18.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 51.6 t -141.01 128.61 21.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.863 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.2 t80 -125.19 103.73 8.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.43 -88.21 0.2 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.501 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -124.61 -56.97 1.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.879 0.371 . . . . 0.0 110.872 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -66.64 159.45 27.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 8.8 p -93.77 129.35 44.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.151 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 83.7 mt -69.19 140.49 54.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 32.9 mtp180 -132.27 143.97 51.14 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.592 0.71 . . . . 0.0 110.879 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 138.51 38.12 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.7 2.267 . . . . 0.0 112.337 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -178.72 -111.0 0.29 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.516 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -112.36 -60.6 1.84 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.856 0.36 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? -48.4 -49.33 35.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -107.28 168.03 9.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.2 t -148.45 105.86 3.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.854 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.531 HD21 ' CD1' ' A' ' 41' ' ' TRP . 5.1 mp -113.87 132.88 55.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.932 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 18.5 ttt85 -138.4 159.87 40.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 31.8 tp60 -121.41 132.8 54.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 60' ' ' GLY . 20.2 tt0 -150.27 106.23 3.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 59' ' ' GLU . . . 34.36 72.17 0.11 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.523 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 51.96 49.56 20.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.752 0.311 . . . . 0.0 111.121 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.8 ttm -146.69 112.31 5.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -105.77 136.19 45.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.932 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -130.71 110.11 11.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.0 tp -102.99 117.49 34.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.2 t -104.77 138.91 27.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.083 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 95.3 t -129.95 116.2 36.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.113 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 19.5 mmt85 -93.15 163.45 13.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.5 m120 56.63 52.61 9.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 18.0 mt -63.26 143.84 57.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.95 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.0 mtp180 -142.85 152.33 58.74 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.629 0.728 . . . . 0.0 110.831 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . 0.468 ' HG2' ' NE2' ' A' ' 73' ' ' GLN . 53.5 Cg_endo -69.81 1.64 4.28 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.674 2.249 . . . . 0.0 112.328 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.468 ' NE2' ' HG2' ' A' ' 72' ' ' PRO . 22.7 mp0 -103.29 -25.04 13.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 75' ' ' SER . 3.4 m-20 -76.44 -33.19 58.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.874 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 74' ' ' ASP . 6.1 p -36.09 124.57 0.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -162.01 -137.05 2.11 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 8.2 ttp-105 -124.01 110.94 15.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.782 0.325 . . . . 0.0 110.821 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -97.15 113.83 25.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.4 p -117.43 162.67 17.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 44.1 t -131.38 112.09 12.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.8 t -85.45 128.2 34.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -161.93 131.61 4.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.858 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 57.07 -128.16 46.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.508 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -103.36 -21.68 13.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.767 0.318 . . . . 0.0 110.847 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -98.65 140.58 32.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.933 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 83.7 m -129.75 134.67 47.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.6 t -103.16 158.25 16.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.16 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 89.2 p -151.35 122.4 7.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -121.57 171.93 8.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.086 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 99.1 m -127.88 143.44 51.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 15.2 tp -122.38 127.17 49.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.971 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 84.8 m -101.46 122.15 43.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.145 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 47.7 t -117.18 111.24 34.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 9.7 m -84.1 147.04 27.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.179 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 96' ' ' LEU . . . -92.87 123.43 36.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.087 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 95' ' ' ALA . 12.6 mt -36.88 151.06 0.12 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.677 0.751 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -164.54 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.665 2.243 . . . . 0.0 112.32 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 68.6 m -153.27 163.76 39.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 79.81 172.17 43.37 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.498 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 101.55 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.682 2.254 . . . . 0.0 112.347 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.5 t -97.3 -44.27 6.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 36.9 m -93.27 -56.64 2.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.816 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.516 179.998 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 76.7 p -112.33 170.02 8.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.85 0.357 . . . . 0.0 110.866 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m -102.43 157.23 17.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.82 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.59 -133.9 1.88 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.456 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.6 m -66.06 81.55 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.817 0.341 . . . . 0.0 110.84 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.6 m -51.74 -48.25 63.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.12 -158.18 27.55 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.471 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 9' ' ' VAL . 53.7 Cg_endo -69.79 138.05 36.83 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.704 2.27 . . . . 0.0 112.346 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.447 ' C ' ' O ' ' A' ' 8' ' ' PRO . 39.0 t -33.98 114.14 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -98.74 172.71 7.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.835 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.452 ' CE1' HG23 ' A' ' 87' ' ' THR . 10.8 m-85 -94.95 92.46 6.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -69.23 -53.75 18.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -127.53 64.94 1.34 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.67 -175.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 31.9 mt -64.53 169.68 4.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? -148.03 174.24 12.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.4 p-10 -66.65 135.72 54.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.862 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.46 ' CD1' ' HG ' ' A' ' 28' ' ' LEU . 11.5 mt -129.99 152.55 49.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -136.62 129.4 30.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.497 ' CG1' ' N ' ' A' ' 21' ' ' LEU . 96.2 t -151.15 164.32 2.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.497 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 17.5 tp -92.05 152.66 19.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.934 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -66.76 153.35 43.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.57 27.25 43.55 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.503 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -140.96 -141.05 3.93 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.476 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -141.39 145.59 35.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.809 0.338 . . . . 0.0 111.078 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -114.7 118.18 32.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.065 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 38.8 m -107.89 123.9 49.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.46 ' HG ' ' CD1' ' A' ' 18' ' ' LEU . 5.2 mp -105.32 158.35 16.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.0 mmt85 -142.68 150.26 39.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 29.1 p -166.45 127.09 1.68 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 37.9 t -108.85 132.68 56.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 4.0 mp -102.77 163.77 12.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 83.5 p -58.29 -22.93 54.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.4 m -163.31 148.86 11.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.856 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.445 ' HB ' ' N ' ' A' ' 61' ' ' ALA . 1.9 p -63.72 133.9 29.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.115 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.554 ' CB ' ' CZ ' ' A' ' 82' ' ' PHE . . . -146.17 151.16 37.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.098 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.475 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . . . -174.08 167.03 2.42 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.557 0.694 . . . . 0.0 111.101 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.475 ' HA ' ' CB ' ' A' ' 37' ' ' ALA . 53.9 Cg_endo -69.72 158.83 90.47 Favored 'Cis proline' 0 C--O 1.231 0.152 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.363 -0.046 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.3 t -109.84 144.24 18.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.117 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.409 ' HD2' ' N ' ' A' ' 41' ' ' TRP . 1.4 tmmm? -105.55 136.34 45.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.409 ' N ' ' HD2' ' A' ' 40' ' ' LYS . 39.6 m95 -120.05 110.6 16.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.911 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.5 t -131.2 137.58 49.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.826 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.421 ' O ' ' CG ' ' A' ' 43' ' ' TYR . 2.9 t80 -121.47 96.1 4.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.991 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 76.49 -110.58 3.07 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.471 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -89.94 -67.14 0.86 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.815 0.34 . . . . 0.0 110.881 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 57.0 m-80 -59.41 159.84 7.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 93.2 t -111.28 124.69 68.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.161 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.4 mt -76.94 131.34 38.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 69.8 mtp180 -131.7 151.36 78.48 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.645 0.736 . . . . 0.0 110.844 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 142.28 47.84 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.676 2.251 . . . . 0.0 112.369 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -176.8 -111.83 0.3 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.511 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -110.76 -38.38 5.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.871 0.367 . . . . 0.0 110.873 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.6 mmmt -75.76 -53.74 8.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -95.12 157.83 15.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.7 t -138.66 111.91 8.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.843 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.6 mt -107.08 114.87 29.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.921 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -122.12 112.32 18.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -91.56 126.62 36.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 60' ' ' GLY . 36.0 mm-40 -126.76 82.81 2.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 59' ' ' GLU . . . 34.42 89.65 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.451 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.445 ' N ' ' HB ' ' A' ' 35' ' ' VAL . . . 64.63 48.54 2.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.795 0.331 . . . . 0.0 111.1 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.421 ' CE ' ' HB2' ' A' ' 59' ' ' GLU . 6.1 tmm? -163.21 137.01 5.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.47 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 1.1 mm? -127.93 150.1 50.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.928 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -144.6 114.69 7.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.7 tp -111.43 104.7 13.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 43.0 t -94.43 121.42 45.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.164 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.1 t -113.74 110.27 31.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.3 mmm-85 -83.77 168.19 16.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.8 m120 59.47 50.47 7.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 11.9 mt -60.74 144.4 52.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 48.4 mmm-85 -145.17 150.75 46.29 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.626 0.727 . . . . 0.0 110.849 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -15.81 37.1 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.689 2.259 . . . . 0.0 112.301 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -89.26 -5.5 57.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.935 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -98.55 -12.04 21.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.4 m -45.46 107.65 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.819 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -150.06 -163.47 11.17 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.437 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 51.4 ttp180 -120.97 119.9 33.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.841 0.353 . . . . 0.0 110.881 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -87.91 163.39 16.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 44.3 t -158.31 125.11 4.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.879 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 2.9 t -102.02 112.53 25.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.1 t -85.74 127.65 34.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.841 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.554 ' CZ ' ' CB ' ' A' ' 36' ' ' ALA . 19.6 t80 -155.53 132.0 10.35 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 59.47 -113.34 5.1 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.495 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -116.74 -35.6 4.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.787 0.327 . . . . 0.0 110.924 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -81.81 152.1 27.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 66.8 m -143.08 137.06 28.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.135 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.452 HG23 ' CE1' ' A' ' 11' ' ' PHE . 13.2 t -122.47 156.91 33.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 54.2 p -146.95 151.15 36.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -140.75 151.58 44.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.058 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.411 HG23 ' N ' ' A' ' 91' ' ' LEU . 95.3 m -99.33 138.72 36.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.411 ' N ' HG23 ' A' ' 90' ' ' THR . 31.0 tp -115.51 122.73 46.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.937 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 63.4 m -102.58 123.67 46.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.128 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 58.2 t -115.23 127.62 72.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.161 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 86.6 m -88.72 139.36 30.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -91.78 129.63 37.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.09 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 69.9 mt -43.69 145.01 1.24 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.628 0.728 . . . . 0.0 110.931 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 159.88 51.72 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.657 2.238 . . . . 0.0 112.321 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 37.2 m -98.76 -66.2 0.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.822 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 174.42 83.44 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.435 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -22.8 31.35 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.694 2.263 . . . . 0.0 112.323 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 32.8 t -43.73 -51.02 7.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.841 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 95.7 p -107.6 140.75 40.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.826 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.472 -179.962 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -133.54 146.03 50.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.859 0.361 . . . . 0.0 110.871 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.3 t -73.84 103.94 4.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.98 76.02 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.514 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.7 m -68.99 156.35 38.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.897 0.38 . . . . 0.0 110.853 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 t -117.38 100.87 7.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.894 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.05 -94.03 0.15 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.543 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 168.73 20.77 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.678 2.252 . . . . 0.0 112.348 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 23.7 t -103.15 136.37 36.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -105.18 131.07 53.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -66.68 76.21 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -52.16 -49.02 64.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.864 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.9 mp0 -134.35 78.14 1.74 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.6 -177.36 4.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 76.7 mt -45.09 169.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.936 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 47.5 pttt -159.11 162.94 36.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -50.17 140.14 13.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.849 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 45.4 mt -129.03 157.69 40.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -133.59 120.12 20.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.428 ' CG2' ' N ' ' A' ' 21' ' ' LEU . 3.3 p -154.59 157.27 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.184 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.428 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 10.0 tt -112.53 142.04 45.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.482 ' C ' ' CD ' ' A' ' 22' ' ' GLU . 4.5 tm-20 -47.26 124.54 6.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 121.75 32.06 1.06 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.469 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -160.91 -143.65 3.74 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.512 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -140.93 156.84 46.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.79 0.329 . . . . 0.0 111.102 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -112.08 131.86 55.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.074 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 94.2 m -117.61 96.17 5.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.0 mp -82.35 126.32 32.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.943 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.5 mmt180 -116.63 150.09 38.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -165.97 129.63 2.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.841 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 46.1 t -110.24 133.23 56.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.126 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.552 HD13 ' CE2' ' A' ' 82' ' ' PHE . 3.6 mt -101.49 165.79 11.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.0 t -54.47 -20.08 6.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.5 t -171.61 148.26 2.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.429 ' HB ' ' N ' ' A' ' 61' ' ' ALA . 1.9 p -57.22 118.71 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.187 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.409 ' HB2' ' CE1' ' A' ' 82' ' ' PHE . . . -134.8 134.37 40.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.471 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . . . -165.97 166.94 9.27 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.553 0.692 . . . . 0.0 111.112 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.471 ' HA ' ' CB ' ' A' ' 37' ' ' ALA . 53.7 Cg_endo -69.73 152.67 92.46 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.343 -0.037 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.0 m -100.84 175.59 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.151 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 65.8 tttt -123.66 126.39 46.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 30.5 m95 -119.27 105.11 11.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.97 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 23.7 p -129.43 146.94 51.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.401 ' O ' ' CG ' ' A' ' 43' ' ' TYR . 3.2 t80 -127.83 95.44 4.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 99.31 -102.02 2.49 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.468 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -111.77 -54.91 2.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.804 0.335 . . . . 0.0 110.854 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -74.12 167.96 20.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 6.7 p -107.16 139.51 28.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.156 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.4 mt -79.73 147.6 31.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 28.1 mtp85 -126.17 144.55 49.38 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.579 0.704 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 153.7 68.73 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.644 2.23 . . . . 0.0 112.339 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 166.94 -142.19 7.42 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.507 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.79 -58.63 3.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.884 0.373 . . . . 0.0 110.86 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.0 tptp -51.16 -46.59 62.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -105.13 177.23 4.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.0 m -158.73 105.86 1.84 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.8 mp -102.2 118.86 37.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.878 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -132.12 120.89 22.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 52.4 tt0 -108.09 118.07 35.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.893 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -111.38 82.96 1.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 41.66 90.22 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.506 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.429 ' N ' ' HB ' ' A' ' 35' ' ' VAL . . . 58.98 52.77 6.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.822 0.344 . . . . 0.0 111.131 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 2.1 ttt -168.33 109.71 0.55 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -93.28 153.64 18.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -148.04 107.99 4.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.0 tp -107.37 112.5 25.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.938 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.4 t -100.39 126.9 53.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 97.1 t -117.41 106.9 20.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.132 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -79.14 155.86 28.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.463 ' O ' ' CD ' ' A' ' 71' ' ' ARG . 27.6 m-20 63.27 54.66 1.99 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 17.8 mt -58.83 161.41 4.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.463 ' CD ' ' O ' ' A' ' 69' ' ' ASN . 0.0 OUTLIER -166.5 152.51 8.0 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.645 0.736 . . . . 0.0 110.868 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -13.05 34.19 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.732 2.288 . . . . 0.0 112.344 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -83.74 -8.54 59.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.922 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -89.95 -28.12 19.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 25.1 m -40.38 102.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -141.18 -133.66 2.95 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.552 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 53.8 ttp180 -129.13 106.53 8.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.798 0.333 . . . . 0.0 110.888 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -95.6 121.47 37.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.936 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 35.4 p -133.43 123.89 26.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 51.9 t -93.94 115.73 28.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 29.5 t -86.94 126.27 34.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.552 ' CE2' HD13 ' A' ' 32' ' ' LEU . 6.6 t80 -161.34 138.96 9.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.849 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 61.18 -112.62 4.88 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.501 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 -122.86 -32.04 3.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.794 0.33 . . . . 0.0 110.859 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -81.43 159.49 24.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.8 m -138.99 124.41 19.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.15 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.1 t -97.91 159.73 14.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 52.9 p -151.74 132.79 14.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.82 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -142.5 172.87 12.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.113 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.407 HG23 ' N ' ' A' ' 91' ' ' LEU . 28.7 m -133.35 143.24 48.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.407 ' N ' HG23 ' A' ' 90' ' ' THR . 54.5 tp -99.37 142.28 31.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 95.4 m -107.52 100.27 9.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.3 t -111.12 120.24 61.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.103 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 31.6 m -82.05 132.98 35.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.153 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.59 108.29 2.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.082 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.536 ' C ' ' CD1' ' A' ' 96' ' ' LEU . 0.4 OUTLIER -41.14 144.03 0.71 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.62 0.724 . . . . 0.0 110.918 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.429 ' N ' HD13 ' A' ' 96' ' ' LEU . 53.9 Cg_endo -69.7 93.23 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.692 2.261 . . . . 0.0 112.376 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 97' ' ' PRO . 29.9 m -36.99 120.08 0.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.812 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -159.28 -158.15 8.94 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.522 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 2.83 3.18 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.66 2.24 . . . . 0.0 112.32 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 18.9 t -71.85 87.34 0.99 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.823 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.3 t -49.86 -48.19 51.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.473 179.99 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.3 p -99.55 120.8 40.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.873 0.368 . . . . 0.0 110.841 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.5 m -86.83 169.11 12.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.6 161.03 22.36 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.477 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.4 p -72.24 -44.67 62.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.947 0.403 . . . . 0.0 110.898 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.2 m 62.54 42.1 8.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.887 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.73 174.35 22.11 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.513 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 149.6 67.15 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.735 2.29 . . . . 0.0 112.364 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 36.6 t -112.93 119.28 60.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.085 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.7 mmt180 -86.39 163.53 17.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -97.25 87.97 4.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.9 tp60 -62.55 -56.74 15.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -127.69 67.59 1.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.53 179.35 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.7 mt -61.79 169.76 2.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.5 mtpt -152.17 135.83 16.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.944 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -39.23 121.8 1.19 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.6 mp -109.79 164.51 12.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -135.09 124.03 24.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.853 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.8 t -148.74 152.02 12.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.179 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.7 tp -96.33 141.56 29.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.953 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -55.5 126.04 23.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 129.2 18.4 1.68 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.496 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -153.55 -140.94 3.16 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.447 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -137.44 158.23 44.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.787 0.327 . . . . 0.0 111.097 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -117.42 121.44 41.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.8 m -102.09 111.7 24.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.19 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.5 mp -100.88 116.93 33.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 44.1 mtm180 -113.44 156.03 24.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.0 p -165.97 137.04 3.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 87.2 t -112.19 137.71 43.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.1 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 34.0 mt -99.91 168.85 9.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.8 t -63.09 -26.74 68.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.404 ' C ' ' HB2' ' A' ' 61' ' ' ALA . 10.9 p -156.71 -177.54 6.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 -179.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 41.5 t -83.63 91.68 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.141 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.512 ' HB1' ' CZ ' ' A' ' 82' ' ' PHE . . . -117.49 142.76 46.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.058 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.473 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . . . -173.88 166.98 2.53 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.608 0.718 . . . . 0.0 111.092 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.473 ' HA ' ' CB ' ' A' ' 37' ' ' ALA . 53.9 Cg_endo -69.69 176.48 32.2 Favored 'Cis proline' 0 C--N 1.342 0.187 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.384 -0.074 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.6 p -115.25 157.54 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.411 ' CE ' ' HA ' ' A' ' 40' ' ' LYS . 0.1 OUTLIER -116.59 118.17 31.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.877 179.907 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.453 ' CE3' HD22 ' A' ' 65' ' ' LEU . 23.3 m95 -104.29 111.41 24.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.0 t -110.17 136.6 49.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.631 ' CE1' ' CE2' ' A' ' 78' ' ' TYR . 9.9 t80 -150.7 114.43 4.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 69.1 -122.8 13.47 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.5 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 17.0 m-20 -118.44 50.33 1.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.869 0.366 . . . . 0.0 110.929 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -171.57 160.43 5.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 75.2 t -99.29 119.18 46.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.162 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 33.7 mt -64.17 131.04 46.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 64.4 mtt180 -131.06 151.65 79.3 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.6 0.714 . . . . 0.0 110.838 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 137.79 36.3 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.678 2.252 . . . . 0.0 112.336 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -175.51 -110.16 0.25 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.492 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -112.55 -47.43 3.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.859 0.361 . . . . 0.0 110.866 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.6 tptt -72.49 -46.15 56.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -112.12 162.32 15.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.942 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.3 t -146.8 123.77 11.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.432 HD11 ' CD1' ' A' ' 41' ' ' TRP . 4.1 mm? -109.59 113.63 26.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.7 tpp180 -132.31 142.42 49.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -117.96 138.08 52.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -133.46 86.08 2.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 44.1 78.8 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.442 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.404 ' HB2' ' C ' ' A' ' 34' ' ' SER . . . 62.52 48.22 4.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.81 0.338 . . . . 0.0 111.075 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 4.4 tmm? -158.79 119.12 3.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -100.17 159.38 15.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.926 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.422 ' OE2' ' C ' ' A' ' 65' ' ' LEU . 0.7 OUTLIER -153.36 125.14 7.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.453 HD22 ' CE3' ' A' ' 41' ' ' TRP . 13.6 tp -120.56 107.25 12.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 24.3 t -83.3 143.36 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.132 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.8 t -134.56 106.02 7.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -94.69 154.73 17.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 67.86 51.74 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 11.6 mt -54.99 151.28 9.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 68.3 mtm180 -155.47 154.93 29.14 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.593 0.711 . . . . 0.0 110.854 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -15.12 37.02 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.688 2.259 . . . . 0.0 112.327 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -85.9 -4.82 59.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -86.22 -33.69 20.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 59.4 m -41.68 100.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -140.92 -131.37 2.7 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.461 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.404 ' NH1' ' HB2' ' A' ' 77' ' ' ARG . 6.3 ttm105 -129.55 105.19 7.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.859 0.361 . . . . 0.0 110.813 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.631 ' CE2' ' CE1' ' A' ' 43' ' ' TYR . 49.5 m-85 -97.03 138.06 35.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.1 p -156.93 151.74 25.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.805 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 2.1 t -124.72 114.2 18.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.873 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.7 t -83.49 132.4 34.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.832 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.512 ' CZ ' ' HB1' ' A' ' 36' ' ' ALA . 0.2 OUTLIER -155.77 115.83 3.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 -179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 66.02 -115.14 7.19 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.532 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 20.0 p-10 -110.51 -28.92 8.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.755 0.312 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 24.1 mm100 -94.64 144.01 25.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.917 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 53.9 m -142.3 137.16 30.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.169 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 9.0 t -104.38 155.36 18.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.159 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.5 m -146.41 120.94 9.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.839 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -127.25 172.37 10.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.095 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 28.0 m -126.71 150.58 48.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.129 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 22.3 tp -115.98 130.31 56.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 97.1 m -95.77 124.27 39.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 66.4 t -129.42 112.14 24.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.4 m -95.07 132.16 40.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.169 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.5 107.95 5.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.105 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.52 ' C ' ' CD1' ' A' ' 96' ' ' LEU . 0.4 OUTLIER -52.26 144.68 21.47 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.618 0.723 . . . . 0.0 110.897 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.443 ' N ' HD12 ' A' ' 96' ' ' LEU . 53.0 Cg_endo -69.78 97.31 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.628 2.219 . . . . 0.0 112.34 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.4 m -71.98 124.11 24.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.829 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -155.16 -158.24 8.64 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.469 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -25.07 28.79 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.683 2.255 . . . . 0.0 112.365 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 57.2 p -66.27 -58.55 5.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.85 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 80.0 p -114.21 44.2 1.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.825 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.455 -179.967 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 76.9 p -142.7 167.94 20.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.875 0.369 . . . . 0.0 110.823 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.7 m -98.35 140.57 32.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.61 -168.97 29.6 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.473 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.2 m -135.86 177.92 7.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.916 0.389 . . . . 0.0 110.844 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t 41.02 38.91 0.75 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.825 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.1 -165.0 8.87 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.438 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 176.47 6.72 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.721 2.28 . . . . 0.0 112.312 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.4 t -126.59 159.99 35.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.155 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -133.48 144.81 49.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -73.11 83.11 1.3 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 56.5 tp60 -56.64 -52.58 64.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 14' ' ' ALA . 5.8 tt0 -127.51 54.15 1.7 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 13' ' ' GLU . . . -44.09 169.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.082 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.3 mt -48.25 165.49 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -142.6 172.02 13.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -68.73 127.06 31.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.834 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.443 ' CD1' ' HG ' ' A' ' 28' ' ' LEU . 10.9 mt -126.95 159.2 34.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.933 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -136.44 134.85 38.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 86.6 t -145.76 152.48 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.136 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.19 128.93 33.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -41.55 153.82 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.68 7.22 79.52 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.508 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.64 -146.7 9.97 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.482 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -137.89 151.66 48.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.826 0.346 . . . . 0.0 111.089 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -110.79 140.43 45.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.09 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.4 m -117.77 112.85 20.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.172 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.443 ' HG ' ' CD1' ' A' ' 18' ' ' LEU . 5.6 mp -115.5 127.09 55.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.951 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.5 ptt180 -141.17 132.06 25.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.814 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.46 ' SG ' ' CD2' ' A' ' 63' ' ' LEU . 6.5 p -120.99 -179.57 4.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.883 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 94.6 t -146.26 117.68 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.518 ' CD2' ' N ' ' A' ' 32' ' ' LEU . 1.1 mm? -86.18 158.25 19.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.9 t -58.92 -19.58 43.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.3 m -159.91 116.84 2.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.829 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.412 ' HB ' ' N ' ' A' ' 61' ' ' ALA . 1.9 p -38.73 134.59 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.113 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.521 ' HB2' ' CE1' ' A' ' 82' ' ' PHE . . . -159.65 141.89 13.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.106 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.479 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . . . -163.47 167.01 11.95 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.622 0.725 . . . . 0.0 111.091 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.479 ' HA ' ' CB ' ' A' ' 37' ' ' ALA . 53.8 Cg_endo -69.77 156.68 92.7 Favored 'Cis proline' 0 C--N 1.342 0.215 0 C-N-CA 122.645 -1.815 . . . . 0.0 112.348 -0.018 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.5 t -106.48 153.87 7.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.063 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.0 tttp -109.71 137.53 47.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.505 ' CD1' HD22 ' A' ' 56' ' ' LEU . 15.4 m95 -111.15 161.19 16.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.92 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.2 m -154.13 135.88 14.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.907 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.403 ' O ' ' N ' ' A' ' 45' ' ' ASN . 7.0 t80 -130.47 102.92 6.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.944 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 61.43 -81.14 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.474 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 43' ' ' TYR . 2.3 m-80 -128.6 -51.62 1.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.859 0.362 . . . . 0.0 110.882 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 31.3 m-20 -69.16 142.93 54.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 62.3 t -86.4 121.06 37.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 95.8 mt -66.85 137.79 56.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 38.5 mtt180 -138.72 150.26 65.13 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.632 0.729 . . . . 0.0 110.843 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 147.69 63.08 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.662 2.241 . . . . 0.0 112.321 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 176.93 -132.09 1.97 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.451 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -95.8 -39.98 9.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.83 0.348 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.7 mmmm -76.2 -47.9 22.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -99.45 176.52 5.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.92 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.9 t -162.78 116.79 1.71 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.505 HD22 ' CD1' ' A' ' 41' ' ' TRP . 6.8 mp -115.69 131.37 56.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.4 ttt180 -144.03 136.04 26.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.448 ' OE1' ' CD1' ' A' ' 63' ' ' LEU . 3.4 tp60 -107.67 128.95 55.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -131.7 88.24 2.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 38.73 85.02 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.474 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.412 ' N ' ' HB ' ' A' ' 35' ' ' VAL . . . 59.06 41.3 20.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.757 0.313 . . . . 0.0 111.069 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 2.5 ttt -149.63 140.26 22.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.577 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.6 OUTLIER -122.92 161.22 24.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.909 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -152.34 107.31 3.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.4 tp -110.8 110.88 21.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.944 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 83.4 t -98.18 120.49 47.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.102 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 42.5 t -115.68 123.35 70.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.157 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -102.75 167.95 9.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 44.1 m-20 58.48 43.95 18.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.46 ' O ' ' CG ' ' A' ' 71' ' ' ARG . 24.9 mt -51.58 174.87 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.46 ' CG ' ' O ' ' A' ' 70' ' ' LEU . 53.2 mtt85 -162.8 145.02 8.15 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.612 0.72 . . . . 0.0 110.889 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -3.1 11.36 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.613 2.209 . . . . 0.0 112.361 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 50.4 mm-40 -100.56 -23.41 14.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 75' ' ' SER . 0.6 OUTLIER -68.4 -30.96 69.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 74' ' ' ASP . 65.7 m -37.53 99.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.836 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -145.5 -137.29 3.09 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.466 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 52.2 ttp180 -128.01 113.67 16.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.777 0.322 . . . . 0.0 110.913 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -91.56 160.22 15.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.476 ' CB ' ' O ' ' A' ' 87' ' ' THR . 58.5 m -154.06 167.93 28.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.88 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 4.3 t -145.71 127.86 15.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 58.2 m -95.09 125.83 40.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.521 ' CE1' ' HB2' ' A' ' 36' ' ' ALA . 11.6 t80 -164.13 135.54 4.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.865 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 49.28 42.06 32.3 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.471 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 62.45 26.27 15.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.801 0.334 . . . . 0.0 110.921 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -124.75 136.73 54.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 30.1 m -123.77 118.33 26.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.154 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.476 ' O ' ' CB ' ' A' ' 79' ' ' SER . 6.2 t -95.57 161.16 14.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.172 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 95.7 p -138.9 138.96 37.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -144.54 178.32 8.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.0 m -129.74 150.87 50.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.174 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 22.5 tp -135.14 109.51 8.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 30.3 m -91.47 121.66 33.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 99.8 t -119.79 114.93 45.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.1 m -82.25 132.88 35.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.19 132.95 44.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.061 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 47.0 mt -39.53 145.38 0.43 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.606 0.717 . . . . 0.0 110.91 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 172.36 12.8 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.692 2.261 . . . . 0.0 112.335 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 37.0 t -117.5 -40.69 3.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.822 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -163.6 -159.03 10.34 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.497 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 101' ' ' SER . 53.9 Cg_endo -69.8 -39.65 6.18 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.676 2.25 . . . . 0.0 112.329 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 100' ' ' PRO . 14.4 m -34.56 -61.35 0.39 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.4 t -91.36 104.43 16.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.473 -179.986 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.3 t 59.34 42.13 18.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.93 0.395 . . . . 0.0 110.886 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.0 t -92.63 -47.63 7.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.89 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.49 -114.4 3.56 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.485 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -83.37 155.47 23.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.841 0.353 . . . . 0.0 110.885 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.5 p -107.62 162.6 13.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.92 76.84 1.32 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.482 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 156.39 63.44 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.709 2.273 . . . . 0.0 112.312 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.0 t -58.7 125.27 14.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.128 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.2 mtt-85 -109.17 178.57 4.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.517 ' CE1' HG23 ' A' ' 87' ' ' THR . 11.4 m-85 -108.01 87.09 2.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -65.3 -57.88 7.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.969 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -123.28 60.85 1.05 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -51.68 -176.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.121 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 32.0 mt -69.14 157.68 36.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -138.7 167.31 22.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.887 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -58.46 140.19 54.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.3 mt -124.0 146.9 48.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -126.38 111.87 14.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.1 t -143.55 153.94 16.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.161 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.6 tp -91.03 134.51 34.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.502 ' C ' ' CD ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER -45.21 165.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.914 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.88 18.17 79.53 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.529 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -132.97 -143.23 4.99 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.502 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -137.45 158.92 43.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.799 0.333 . . . . 0.0 111.122 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -124.93 119.21 28.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 22.6 m -111.82 100.38 8.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.138 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.6 mp -84.1 153.69 23.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.914 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 18.2 mtm180 -138.94 144.22 38.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.3 p -162.66 124.91 2.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 43.5 t -103.87 129.29 56.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.148 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 33' ' ' SER . 5.6 mt -88.89 134.82 33.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.955 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 32' ' ' LEU . 3.9 m -37.4 -39.76 0.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.813 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.2 m -133.22 172.4 12.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.866 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 37.4 t -91.98 110.67 23.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.156 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -140.25 145.63 37.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.477 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . . . -170.4 166.98 4.81 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.553 0.692 . . . . 0.0 111.134 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.477 ' HA ' ' CB ' ' A' ' 37' ' ' ALA . 53.5 Cg_endo -69.74 169.75 61.76 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.724 -1.782 . . . . 0.0 112.325 -0.014 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.482 HG12 ' CD1' ' A' ' 82' ' ' PHE . 21.8 t -113.18 160.82 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.1 tptt -108.76 144.2 36.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 31.0 m95 -128.81 102.85 6.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.938 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 16.7 p -116.4 131.09 57.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.589 ' CD1' ' CD1' ' A' ' 78' ' ' TYR . 5.1 t80 -135.8 113.79 11.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.75 -93.37 0.18 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.461 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 37.3 t-20 -127.94 -59.74 1.18 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.861 0.362 . . . . 0.0 110.943 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -65.17 141.34 58.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 13.2 t -85.73 134.06 28.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.8 mt -80.58 122.61 27.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -125.57 152.96 72.65 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.553 0.692 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 129.53 17.8 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.67 2.247 . . . . 0.0 112.336 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -161.86 -129.04 0.99 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.485 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -98.42 -44.27 6.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.907 0.384 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.569 ' HE2' ' CE1' ' A' ' 54' ' ' TYR . 0.3 OUTLIER -69.36 -59.63 2.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.569 ' CE1' ' HE2' ' A' ' 53' ' ' LYS . 23.1 m-85 -86.54 162.04 18.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.0 t -141.08 115.28 9.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -102.24 124.75 48.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 40.1 mtp85 -134.68 128.08 32.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -118.57 133.63 55.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -134.79 84.63 2.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 42.35 94.25 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.504 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 57.46 30.28 18.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.769 0.319 . . . . 0.0 111.091 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 2.6 ttp -135.7 143.42 45.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.935 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.6 mt -132.44 151.54 51.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.462 ' CD ' ' C ' ' A' ' 64' ' ' GLU . 1.3 tm-20 -150.18 118.56 6.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.6 tp -113.39 119.56 38.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 97.9 t -102.78 130.1 53.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 6.7 t -118.4 116.74 52.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.104 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -93.4 158.53 15.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.8 m120 62.3 54.68 2.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 12.4 mt -56.43 149.24 17.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 21.3 mtt180 -155.59 147.45 17.19 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.615 0.721 . . . . 0.0 110.864 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 -4.49 14.19 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.653 2.235 . . . . 0.0 112.319 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -98.09 -11.92 22.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 75' ' ' SER . 21.8 t0 -82.94 -31.42 27.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 74' ' ' ASP . 69.4 m -35.34 103.06 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -136.5 -145.8 5.08 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.477 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 10.2 ttp-105 -119.54 100.5 7.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.822 0.344 . . . . 0.0 110.84 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.589 ' CD1' ' CD1' ' A' ' 43' ' ' TYR . 70.6 m-85 -91.24 106.57 18.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 33.6 p -122.4 134.69 54.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.853 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 3.2 t -102.26 115.49 30.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.933 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 7.2 t -83.0 124.9 30.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.482 ' CD1' HG12 ' A' ' 39' ' ' VAL . 1.6 t80 -158.25 123.9 4.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.843 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 64.58 -132.04 37.91 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.464 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -99.79 -23.38 15.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.814 0.34 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -93.69 150.01 20.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 50.7 m -137.1 121.75 18.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.517 HG23 ' CE1' ' A' ' 11' ' ' PHE . 8.3 t -91.05 159.57 16.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.166 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.6 t -150.23 140.89 22.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -147.63 169.0 20.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.144 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 51.4 m -130.75 136.56 48.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.145 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.3 tp -102.75 130.91 49.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 88.2 m -96.94 125.85 41.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.111 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 58.7 t -123.26 111.5 29.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 29.5 m -83.11 130.94 35.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 96' ' ' LEU . . . -83.48 120.91 26.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.107 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.448 ' C ' ' O ' ' A' ' 95' ' ' ALA . 31.1 mt -34.68 150.19 0.08 OUTLIER Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.649 0.738 . . . . 0.0 110.866 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 127.7 14.97 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.688 2.259 . . . . 0.0 112.355 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 33.8 t -79.65 124.64 28.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -143.67 150.05 22.03 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.491 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 101' ' ' SER . 53.5 Cg_endo -69.75 95.2 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.728 2.285 . . . . 0.0 112.318 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 100' ' ' PRO . 3.2 t 37.83 46.05 0.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 22.8 t -88.28 -54.72 4.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.835 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.513 -179.978 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.1 m 54.14 42.28 31.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.883 0.373 . . . . 0.0 110.853 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.1 m -93.49 -46.53 7.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.78 -133.59 7.13 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.484 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -124.58 106.1 9.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.828 0.346 . . . . 0.0 110.864 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.2 p -112.51 165.44 12.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.849 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.3 -172.66 37.65 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.481 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -179.2 2.74 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.702 2.268 . . . . 0.0 112.338 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 37.6 t -60.54 134.69 25.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 67.3 mtt180 -113.89 177.49 4.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -108.9 79.3 1.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.7 tp60 -59.09 -50.74 72.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -133.31 68.03 1.51 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.66 -175.12 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.133 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 53.4 mt -54.79 168.33 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.949 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -149.27 174.07 12.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -71.23 114.68 9.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.5 mp -106.45 156.19 18.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.951 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -137.25 113.42 9.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.2 t -132.02 154.86 40.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.091 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.8 tp -93.56 145.84 24.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.933 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -58.63 120.04 8.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 123.85 31.92 0.91 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.473 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -155.76 -144.4 3.91 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.518 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -135.05 155.2 51.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 0.0 111.097 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -113.23 120.56 41.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.083 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.2 m -110.72 109.48 19.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.158 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.4 mp -89.95 121.97 32.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 71.0 mtm180 -112.97 151.84 30.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 23.9 p -169.98 131.1 1.01 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 95.1 t -106.28 122.84 60.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.403 HD12 ' CD2' ' A' ' 63' ' ' LEU . 4.8 mt -87.35 146.99 25.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 83.2 p -45.92 -41.49 11.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.844 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.5 m -130.81 159.56 36.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.448 ' CG2' ' HB2' ' A' ' 61' ' ' ALA . 25.4 t -80.0 99.43 3.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.151 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -132.3 147.89 52.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.08 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.476 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . . . -171.29 166.99 4.11 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.625 0.726 . . . . 0.0 111.06 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.476 ' HA ' ' CB ' ' A' ' 37' ' ' ALA . 53.9 Cg_endo -69.72 177.76 27.65 Favored 'Cis proline' 0 C--N 1.342 0.205 0 C-N-CA 122.713 -1.786 . . . . 0.0 112.337 -0.047 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.403 HG22 ' N ' ' A' ' 40' ' ' LYS . 2.0 p -114.98 146.88 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.117 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.403 ' N ' HG22 ' A' ' 39' ' ' VAL . 15.1 tttt -104.15 118.83 37.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.517 ' CD1' HD21 ' A' ' 56' ' ' LEU . 71.1 m95 -93.17 159.87 15.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.8 m -150.46 119.82 6.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.409 ' O ' ' N ' ' A' ' 45' ' ' ASN . 11.9 t80 -147.29 107.99 4.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 40.79 -96.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.506 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.409 ' N ' ' O ' ' A' ' 43' ' ' TYR . 12.2 p30 -47.44 169.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.831 0.348 . . . . 0.0 110.923 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -46.94 169.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.8 p -44.23 142.14 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.121 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 51.5 mt -89.28 151.05 22.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 49' ' ' ARG . 12.2 mtp-105 -132.2 146.42 61.56 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.588 0.708 . . . . 0.0 110.898 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 147.14 62.14 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.719 2.279 . . . . 0.0 112.376 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -175.45 -132.34 1.58 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.46 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -91.3 -50.84 5.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.894 0.378 . . . . 0.0 110.883 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.6 tptt -58.34 -61.27 2.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -89.31 173.45 8.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.943 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.0 m -152.43 112.55 4.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.517 HD21 ' CD1' ' A' ' 41' ' ' TRP . 5.5 mp -111.36 134.11 53.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -140.9 145.05 35.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 36.2 tp60 -125.55 132.64 52.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 60' ' ' GLY . 3.8 tm-20 -160.11 133.53 6.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.822 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 59' ' ' GLU . . . 34.35 62.45 0.5 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.502 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.448 ' HB2' ' CG2' ' A' ' 35' ' ' VAL . . . 47.8 47.88 17.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.816 0.341 . . . . 0.0 111.096 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -143.6 127.08 16.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.403 ' CD2' HD12 ' A' ' 32' ' ' LEU . 2.3 mm? -104.9 160.71 14.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.906 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -152.39 115.52 4.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.6 tp -115.98 119.04 34.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 69.2 t -102.21 147.41 8.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 65.2 t -136.31 106.49 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.089 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 20.3 mmm-85 -84.7 161.13 20.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 54.04 53.67 10.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 34.9 mt -55.63 -177.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.945 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -171.68 150.62 2.66 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.61 0.719 . . . . 0.0 110.888 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -2.93 10.98 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.651 2.234 . . . . 0.0 112.368 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -114.19 34.45 4.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -118.88 -21.91 7.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 44.8 m -56.9 99.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -130.06 -131.19 3.31 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.484 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 31.5 ttp180 -128.45 100.77 5.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.846 0.355 . . . . 0.0 110.889 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -89.09 138.58 31.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 9.7 t -141.91 150.06 41.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.818 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.3 t -127.23 113.59 16.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.9 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.9 t -84.01 129.24 34.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -153.28 120.13 5.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 52.93 -112.98 2.48 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.539 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -119.05 35.8 4.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.756 0.312 . . . . 0.0 110.874 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -135.65 150.03 49.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.946 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 24.6 m -141.99 117.08 10.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.131 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.8 t -106.88 152.18 24.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.167 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 52.4 p -140.25 140.19 35.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -141.75 174.57 10.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.089 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 33.9 m -133.33 141.42 47.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.133 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 54.2 tp -109.46 149.81 29.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 54.7 m -119.81 128.12 53.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.139 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 61.6 t -130.91 117.41 37.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.159 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 27.6 m -85.73 134.34 33.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.132 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.37 110.05 5.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.466 HD12 ' N ' ' A' ' 97' ' ' PRO . 0.5 OUTLIER -52.75 145.4 21.96 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.609 0.719 . . . . 0.0 110.923 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.466 ' N ' HD12 ' A' ' 96' ' ' LEU . 53.6 Cg_endo -69.77 85.97 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.713 2.275 . . . . 0.0 112.295 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.401 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 1.9 t -96.08 146.97 24.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.832 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 127.48 -65.05 0.58 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.514 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.401 ' HD2' ' C ' ' A' ' 98' ' ' SER . 54.0 Cg_endo -69.75 131.13 20.6 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.708 2.272 . . . . 0.0 112.332 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.2 m -90.15 -44.02 10.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 13.0 m -108.33 108.25 19.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.506 179.994 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 m -123.58 -51.61 1.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.856 0.36 . . . . 0.0 110.814 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -77.52 100.19 5.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.97 135.26 12.33 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.485 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.1 t -116.88 -57.15 2.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.91 0.386 . . . . 0.0 110.864 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.4 m -101.59 116.11 32.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.61 84.5 0.65 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.476 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 176.25 7.01 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.646 2.231 . . . . 0.0 112.356 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.457 HG11 ' N ' ' A' ' 10' ' ' ARG . 92.8 t -116.68 136.11 54.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.457 ' N ' HG11 ' A' ' 9' ' ' VAL . 79.1 mtt180 -100.8 150.0 23.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.898 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -82.8 75.55 9.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -49.66 -50.37 43.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -131.55 65.41 1.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.827 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.21 -175.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.6 mt -63.82 -175.84 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -164.77 159.17 18.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -53.26 147.44 10.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.6 mt -135.87 138.75 42.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -112.67 115.82 29.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -145.04 147.25 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.155 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.4 tp -86.84 144.73 26.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.949 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -52.29 147.06 8.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.48 35.54 6.9 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.504 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -152.67 -147.19 4.54 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.508 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.465 ' N ' HD12 ' A' ' 70' ' ' LEU . . . -139.57 156.53 46.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.786 0.327 . . . . 0.0 111.082 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -119.07 134.0 55.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.083 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.1 m -115.47 113.47 23.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.108 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.5 mp -96.97 134.61 40.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.8 mmm-85 -127.56 138.41 52.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 29.5 p -156.03 125.4 6.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 54.7 t -109.62 129.98 63.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.453 ' CD2' ' N ' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -93.4 170.97 9.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.8 t -58.44 -28.9 65.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.3 t -156.74 147.79 22.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.855 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.413 ' HB ' ' N ' ' A' ' 61' ' ' ALA . 7.0 p -65.29 108.14 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.165 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.457 ' O ' ' CZ ' ' A' ' 82' ' ' PHE . . . -128.08 106.66 9.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.081 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.477 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . . . -125.26 167.0 17.55 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.607 0.717 . . . . 0.0 111.098 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.477 ' HA ' ' CB ' ' A' ' 37' ' ' ALA . 53.6 Cg_endo -69.74 170.59 57.61 Favored 'Cis proline' 0 C--N 1.342 0.214 0 C-N-CA 122.667 -1.805 . . . . 0.0 112.37 -0.037 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.6 t -110.5 154.69 12.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.15 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.55 115.51 27.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 38.9 m95 -99.03 148.79 23.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.925 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.3 p -158.78 131.95 7.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.765 ' CE1' ' CE2' ' A' ' 78' ' ' TYR . 1.8 t80 -138.43 105.92 5.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.895 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 83.68 -107.84 2.99 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.529 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -115.33 -54.09 2.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.843 0.354 . . . . 0.0 110.833 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -70.92 157.38 38.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 42.1 t -91.75 141.05 15.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.401 HD13 ' CB ' ' A' ' 43' ' ' TYR . 15.9 mt -86.37 122.77 30.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 80.5 mtm180 -117.41 149.19 44.27 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.595 0.712 . . . . 0.0 110.929 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 143.33 50.09 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.691 2.261 . . . . 0.0 112.296 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 169.28 -141.95 7.02 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.492 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -84.15 -48.86 9.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.919 0.39 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.8 tptt -64.74 -45.5 86.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -119.73 150.33 40.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.97 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.9 t -125.62 134.65 51.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 70.0 mt -132.93 109.44 9.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -128.2 135.34 49.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.404 ' C ' ' HG2' ' A' ' 59' ' ' GLU . 14.5 tt0 -116.43 145.78 43.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.498 ' O ' ' CB ' ' A' ' 62' ' ' MET . 6.6 mm-40 -151.09 105.3 3.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 59' ' ' GLU . . . 34.35 75.58 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.511 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.413 ' N ' ' HB ' ' A' ' 35' ' ' VAL . . . 59.97 41.75 17.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.764 0.316 . . . . 0.0 111.12 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.498 ' CB ' ' O ' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -130.77 129.87 43.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.47 HD22 ' N ' ' A' ' 63' ' ' LEU . 3.1 mm? -111.24 148.94 31.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -156.27 112.04 2.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.3 tp -123.07 122.21 37.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 52.6 t -107.69 122.14 61.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.139 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 31.2 t -113.82 104.42 16.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 26.2 mtt-85 -77.85 168.21 20.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 15.5 m120 58.5 54.23 5.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.465 HD12 ' N ' ' A' ' 25' ' ' ALA . 12.5 mt -62.06 125.37 23.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.7 mmt85 -122.51 154.15 62.78 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.619 0.723 . . . . 0.0 110.871 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 0.23 5.95 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.675 2.25 . . . . 0.0 112.333 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -101.73 -24.67 14.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.5 -36.14 82.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.6 m -43.22 98.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.834 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -144.12 -140.97 3.7 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.556 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 24.8 ttm-85 -117.77 100.91 7.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.844 0.354 . . . . 0.0 110.843 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.765 ' CE2' ' CE1' ' A' ' 43' ' ' TYR . 51.1 m-85 -91.66 131.43 37.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 95.0 p -136.96 149.3 47.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 4.0 t -128.22 130.15 47.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.849 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 50.3 m -83.51 122.81 29.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.848 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.457 ' CZ ' ' O ' ' A' ' 36' ' ' ALA . 5.3 t80 -145.02 122.1 11.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.881 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 60.56 -103.52 0.51 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.463 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -123.7 -34.19 3.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.767 0.318 . . . . 0.0 110.868 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -84.32 158.53 21.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 85.9 m -129.9 136.26 49.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 9.7 t -96.19 161.6 13.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.138 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.4 t -155.26 134.0 12.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -145.42 174.61 10.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.098 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 62.9 m -132.4 145.66 51.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.15 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 20.7 tp -111.99 146.25 38.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 70.9 m -114.89 120.91 41.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.165 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 60.9 t -128.76 114.47 33.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.138 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 58.7 m -93.34 136.33 33.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.158 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.82 121.7 20.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.073 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 8.7 mt -47.47 149.55 1.96 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.625 0.726 . . . . 0.0 110.93 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 144.96 56.01 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.667 2.245 . . . . 0.0 112.335 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.2 m -93.1 -44.34 8.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -101.21 -93.53 2.18 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.499 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 122.81 9.51 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.69 2.26 . . . . 0.0 112.396 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.2 m -90.38 171.9 9.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.86 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 57.8 p -167.72 169.99 11.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.446 179.97 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.7 t -46.91 121.77 3.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.892 0.377 . . . . 0.0 110.896 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.4 m -127.23 -46.83 1.48 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.06 63.37 0.44 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.519 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.7 t -76.6 137.7 39.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.943 0.401 . . . . 0.0 110.832 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.6 m -93.76 -58.06 2.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.848 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.11 146.59 8.42 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.454 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 170.18 17.19 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.668 2.245 . . . . 0.0 112.315 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 6.2 t -137.46 121.58 22.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 61.0 mtm-85 -93.43 173.32 7.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -95.38 92.96 6.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -59.96 -56.46 21.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -128.13 56.1 1.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -43.85 168.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.119 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.0 mt -45.45 152.63 0.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.3 mtpt -136.48 179.93 6.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.43 135.57 45.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.835 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.8 mt -127.68 152.63 47.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -132.73 118.62 19.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.5 t -138.16 153.83 27.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.17 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.62 129.81 34.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.912 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.41 ' CG ' ' N ' ' A' ' 23' ' ' GLY . 11.7 tt0 -46.82 157.59 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.41 ' N ' ' CG ' ' A' ' 22' ' ' GLU . . . 80.05 27.62 52.37 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.512 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -143.42 -142.48 3.97 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.472 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.449 ' CA ' HD11 ' A' ' 70' ' ' LEU . . . -133.95 153.96 51.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.795 0.331 . . . . 0.0 111.098 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -110.79 111.56 22.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.085 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 31.7 m -93.16 99.5 12.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.7 mp -83.69 146.0 28.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.934 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 60.1 mtt180 -140.73 152.83 45.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -166.14 126.74 1.74 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 48.6 t -103.16 138.13 28.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.096 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.495 HD21 ' CE2' ' A' ' 82' ' ' PHE . 4.3 mp -108.38 -177.86 3.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.9 t -67.38 -27.62 67.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.8 m -159.63 179.52 8.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.7 t -77.8 104.5 5.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.141 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.511 ' HB2' ' CZ ' ' A' ' 82' ' ' PHE . . . -126.62 136.08 52.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.114 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.482 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . . . -174.74 166.96 2.12 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.501 0.667 . . . . 0.0 111.121 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.482 ' HA ' ' CB ' ' A' ' 37' ' ' ALA . 54.4 Cg_endo -69.75 166.94 72.75 Favored 'Cis proline' 0 C--O 1.231 0.157 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.399 -0.041 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.465 ' CG2' HD13 ' A' ' 63' ' ' LEU . 3.2 t -116.93 146.66 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.152 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 34.7 tttp -112.81 133.75 54.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 17.8 m95 -107.12 161.22 14.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 71.7 m -142.58 121.13 12.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -139.13 126.48 21.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 57.19 -102.86 0.24 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.474 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -126.84 -62.86 1.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.837 0.351 . . . . 0.0 110.858 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -62.55 99.9 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 39.2 t -41.22 138.66 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.082 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 31.0 mt -76.97 125.21 28.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.455 ' CZ ' ' HB2' ' A' ' 49' ' ' ARG . 22.6 mtm105 -136.36 153.8 76.59 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.642 0.734 . . . . 0.0 110.87 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 134.51 28.22 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.709 2.273 . . . . 0.0 112.336 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -166.07 -112.68 0.27 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.515 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -112.77 -42.47 3.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.863 0.363 . . . . 0.0 110.862 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.56 -55.41 24.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.432 ' CE1' HG12 ' A' ' 67' ' ' VAL . 2.6 m-85 -110.87 168.04 9.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.922 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.8 t -139.07 117.71 12.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.432 ' N ' ' CD2' ' A' ' 56' ' ' LEU . 0.7 OUTLIER -93.94 117.34 29.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.938 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -143.3 130.57 20.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -108.09 146.51 32.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -134.95 83.89 2.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 55.07 98.45 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.509 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 41.42 47.35 3.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.745 0.307 . . . . 0.0 111.096 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 2.6 tmm? -159.4 123.63 3.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.465 HD13 ' CG2' ' A' ' 39' ' ' VAL . 2.3 mm? -97.58 152.44 19.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -141.17 128.23 20.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 15.9 tp -125.07 113.16 17.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.916 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 89.8 t -94.95 133.24 36.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.174 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.432 HG12 ' CE1' ' A' ' 54' ' ' TYR . 75.5 t -130.96 108.7 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -86.81 176.09 7.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 44.3 m-20 54.92 44.94 27.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.449 HD11 ' CA ' ' A' ' 25' ' ' ALA . 11.9 mt -56.77 151.26 14.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 74.6 mtt180 -136.56 148.67 64.72 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.546 0.689 . . . . 0.0 110.938 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -8.71 24.31 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.652 2.235 . . . . 0.0 112.356 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -106.25 -26.88 11.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -59.01 -33.05 70.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 50.5 p -46.69 117.01 1.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -154.56 -125.34 0.98 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.537 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 58.9 ttp85 -129.64 119.07 22.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.786 0.327 . . . . 0.0 110.897 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -102.41 142.95 32.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 38.1 m -126.16 164.98 19.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 51.3 t -149.46 126.46 11.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.926 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.3 t -100.4 129.29 46.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.511 ' CZ ' ' HB2' ' A' ' 36' ' ' ALA . 18.6 t80 -164.23 141.68 6.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 82' ' ' PHE . . . 35.74 50.34 1.08 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.446 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 57.67 39.69 27.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.735 0.302 . . . . 0.0 110.871 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.479 ' N ' ' O ' ' A' ' 82' ' ' PHE . 4.4 mm-40 -130.14 156.41 44.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 27.9 m -143.57 105.0 4.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.175 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 5.1 t -99.61 132.86 44.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.11 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -116.51 139.55 50.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.839 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -142.33 176.16 9.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.119 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 19.5 m -126.63 156.74 40.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.192 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 60.6 tp -133.24 135.68 45.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.916 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 89.6 m -110.72 131.56 54.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.12 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 65.6 t -130.4 109.33 17.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 56.8 m -83.66 131.93 34.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.187 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.38 119.0 12.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.463 HD11 ' N ' ' A' ' 97' ' ' PRO . 0.5 OUTLIER -65.68 145.64 99.03 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.572 0.701 . . . . 0.0 110.923 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.463 ' N ' HD11 ' A' ' 96' ' ' LEU . 53.5 Cg_endo -69.8 107.47 1.87 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.717 2.278 . . . . 0.0 112.342 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 25.1 p -69.82 177.65 2.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -161.62 150.04 19.21 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.518 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 104.76 1.36 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.676 2.251 . . . . 0.0 112.388 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 38.3 m -125.92 -59.42 1.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 32.8 t -74.4 110.64 8.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.505 179.986 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.2 p -110.92 116.71 31.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.891 0.377 . . . . 0.0 110.854 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.1 m 56.18 41.6 29.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.842 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.69 101.6 0.19 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.516 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.2 m -68.73 -51.3 42.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.899 0.38 . . . . 0.0 110.908 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.5 p -129.28 102.61 6.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.884 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.21 146.19 2.87 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.496 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 161.06 47.37 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.671 2.247 . . . . 0.0 112.375 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 90.3 t -75.3 122.36 28.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -100.66 169.44 9.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -100.53 79.34 2.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 43.7 tp60 -54.34 -59.94 4.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.872 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -125.01 65.83 1.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.21 178.32 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.109 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 24.2 mt -47.68 168.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.941 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.445 ' O ' ' C ' ' A' ' 17' ' ' ASP . 8.1 mtmp? -154.19 147.02 24.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 16' ' ' LYS . 1.5 p-10 -35.12 138.17 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -145.78 145.42 30.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.412 ' C ' HG23 ' A' ' 20' ' ' VAL . 25.7 tt0 -135.74 133.52 38.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.412 HG23 ' C ' ' A' ' 19' ' ' GLU . 66.4 t -146.29 151.72 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.168 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.8 tp -77.95 135.59 37.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -51.44 154.43 1.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.88 -44.49 1.71 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.436 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -80.8 -143.2 3.44 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.488 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -135.83 160.84 37.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.825 0.345 . . . . 0.0 111.078 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -114.61 136.06 53.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.075 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 42.2 m -117.59 121.8 41.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.4 mp -105.91 130.71 53.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.918 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 55.6 mtt180 -123.12 145.56 48.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 24.7 p -171.05 133.7 0.9 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.817 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 92.8 t -106.17 131.03 56.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.134 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.5 mt -90.69 150.17 21.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.2 m -40.78 -46.59 2.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.4 m -142.92 173.17 11.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.438 ' CG2' ' HB2' ' A' ' 61' ' ' ALA . 15.1 t -87.15 106.67 16.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.122 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -129.91 19.74 5.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.08 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.481 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . . . -59.55 166.98 2.71 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.573 0.701 . . . . 0.0 111.09 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.481 ' HA ' ' CB ' ' A' ' 37' ' ' ALA . 54.0 Cg_endo -69.77 179.69 21.62 Favored 'Cis proline' 0 C--N 1.342 0.201 0 C-N-CA 122.641 -1.816 . . . . 0.0 112.356 0.006 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.412 HG12 ' CE1' ' A' ' 82' ' ' PHE . 35.2 m -122.11 176.12 4.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.7 tttm -126.24 115.51 19.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.419 ' CD1' HD23 ' A' ' 56' ' ' LEU . 56.4 m95 -89.77 161.64 15.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.959 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 26.7 p -154.49 132.87 11.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.402 ' CD1' ' C ' ' A' ' 43' ' ' TYR . 1.0 OUTLIER -149.27 133.19 17.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.789 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 39.86 36.1 0.74 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.539 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 68.06 52.49 0.68 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.828 0.347 . . . . 0.0 110.925 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -151.97 161.17 43.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 48.9 t -100.96 122.7 53.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.1 mt -95.06 119.36 33.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.945 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -121.65 153.33 59.62 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.605 0.716 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 141.92 46.26 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.646 2.231 . . . . 0.0 112.327 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 176.32 -121.76 0.82 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.526 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -96.91 -60.77 1.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.881 0.372 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.0 tptt -63.07 -45.0 94.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -115.73 161.16 19.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.8 m -143.67 138.27 28.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.878 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.419 HD23 ' CD1' ' A' ' 41' ' ' TRP . 6.6 mp -140.86 126.83 19.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 25.8 tpt180 -136.68 131.42 33.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -101.39 129.69 47.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -128.97 81.42 2.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 43.17 88.01 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.481 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.438 ' HB2' ' CG2' ' A' ' 35' ' ' VAL . . . 56.72 43.03 25.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.771 0.32 . . . . 0.0 111.118 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 2.8 ttt -147.66 138.06 23.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -117.37 155.82 28.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -156.84 108.82 2.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.1 tp -112.32 128.99 56.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 90.6 t -114.91 120.47 64.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.111 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.6 t -114.88 114.76 47.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.135 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 24.9 mmt85 -88.31 172.42 9.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 62.1 t30 58.22 53.88 6.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 19.2 mt -59.52 146.96 38.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.466 ' HB3' ' NE2' ' A' ' 73' ' ' GLN . 23.7 mmm-85 -146.28 144.39 21.19 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.604 0.716 . . . . 0.0 110.845 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -4.68 14.52 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.691 2.261 . . . . 0.0 112.306 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.466 ' NE2' ' HB3' ' A' ' 71' ' ' ARG . 2.2 pm0 -105.93 2.95 27.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.953 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -90.96 -30.77 16.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.926 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 67.5 m -39.14 100.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -133.9 -140.15 4.28 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.466 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 56.7 ttt180 -119.48 100.73 7.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.762 0.315 . . . . 0.0 110.88 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -93.78 106.29 18.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 27.0 p -114.15 156.94 23.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.8 t -127.65 118.36 23.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 19.7 m -88.13 123.02 32.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.412 ' CE1' HG12 ' A' ' 39' ' ' VAL . 3.6 t80 -154.54 110.7 3.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 73.88 -122.31 7.55 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.485 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.65 -39.63 6.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.748 0.309 . . . . 0.0 110.864 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -81.85 160.19 23.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 89.8 m -143.86 129.2 18.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 6.3 t -94.77 156.31 16.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 95.6 p -153.86 122.11 6.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.85 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -127.28 169.04 13.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.129 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 60.9 m -128.57 138.25 52.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.136 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 18.3 tp -108.37 131.5 54.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 59.3 m -100.23 112.54 24.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.152 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 92.9 t -101.08 122.61 53.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 6.2 m -92.52 125.27 37.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.159 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.09 121.48 19.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.1 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.465 HD12 ' N ' ' A' ' 97' ' ' PRO . 0.5 OUTLIER -62.19 145.64 93.43 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.585 0.707 . . . . 0.0 110.927 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.465 ' N ' HD12 ' A' ' 96' ' ' LEU . 53.6 Cg_endo -69.77 94.64 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.682 2.255 . . . . 0.0 112.347 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.4 t -108.56 115.64 30.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.828 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -111.03 146.27 17.64 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.467 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 113.18 3.29 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.684 2.256 . . . . 0.0 112.35 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 98.7 p -122.36 79.62 1.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 89.9 p -62.17 156.8 20.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.495 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.3 m -53.35 120.16 5.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.935 0.398 . . . . 0.0 110.806 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 t -154.37 130.98 10.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.824 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.11 -177.07 20.97 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.509 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.8 p -113.64 87.51 2.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.891 0.377 . . . . 0.0 110.873 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.3 m -52.72 -39.77 62.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.836 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.66 179.72 27.9 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.482 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 172.67 12.21 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.722 2.282 . . . . 0.0 112.32 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.442 ' CG1' ' HB3' ' A' ' 36' ' ' ALA . 8.9 m -79.26 46.19 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 29.1 mtp180 -47.78 172.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.85 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -88.87 71.02 8.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.847 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -45.89 -52.8 10.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -128.62 60.15 1.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.913 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.18 171.11 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.121 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.9 mt -54.49 159.39 2.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.3 pttt -141.65 160.41 40.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.7 116.09 1.64 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 80.0 mt -103.33 163.88 11.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.409 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 0.5 OUTLIER -135.16 142.34 46.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 179.909 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.453 ' CG1' ' N ' ' A' ' 21' ' ' LEU . 94.4 t -157.76 160.13 2.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.453 ' N ' ' CG1' ' A' ' 20' ' ' VAL . 5.4 tp -111.16 133.74 53.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -40.85 124.43 2.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.87 21.65 7.36 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.528 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -139.43 -145.91 4.81 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.461 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -142.49 157.27 44.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.813 0.34 . . . . 0.0 111.101 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -112.88 118.07 33.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.2 m -102.32 108.89 20.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.122 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.1 mp -90.98 105.13 17.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.958 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -115.13 123.3 48.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 20.6 p -139.0 144.14 38.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 76.2 t -109.52 134.07 52.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.127 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.552 HD13 ' CE2' ' A' ' 82' ' ' PHE . 9.2 mt -100.79 160.05 14.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 45.0 t -65.3 -14.68 61.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.3 m -173.44 140.39 0.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.864 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 2.8 p -66.61 106.58 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.53 ' HB1' ' CZ ' ' A' ' 82' ' ' PHE . . . -115.67 20.09 14.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.096 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.479 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . . . -45.05 167.04 0.12 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.538 0.685 . . . . 0.0 111.097 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.479 ' HA ' ' CB ' ' A' ' 37' ' ' ALA . 54.3 Cg_endo -69.73 174.24 41.26 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.375 -0.043 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.449 ' CG2' HD12 ' A' ' 63' ' ' LEU . 3.2 t -112.02 160.9 11.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.116 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.4 tttt -128.68 104.33 7.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 45.4 m95 -86.98 117.15 25.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 19.2 m -116.55 118.79 33.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -142.68 110.47 5.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 43.44 -97.09 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.515 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -51.61 -179.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.828 0.347 . . . . 0.0 110.928 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 27.3 p30 -53.06 171.13 0.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 20.3 t -42.34 134.39 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.133 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 96.1 mt -77.17 108.97 10.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 48.9 mtt180 -98.73 149.03 35.35 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.552 0.691 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 157.07 61.64 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.681 2.254 . . . . 0.0 112.329 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 173.25 -137.09 3.95 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.468 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -94.35 -2.93 51.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.869 0.366 . . . . 0.0 110.846 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.87 -55.25 2.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -96.32 152.72 18.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.95 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 45.2 t -124.84 102.33 7.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -97.49 110.55 23.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.5 ttt85 -130.31 113.5 14.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.42 ' OE1' ' N ' ' A' ' 60' ' ' GLY . 1.4 tm0? -108.03 135.53 49.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.955 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -134.17 79.92 1.83 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.42 ' N ' ' OE1' ' A' ' 58' ' ' GLN . . . 38.24 92.13 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.496 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 65.15 35.1 8.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.83 0.348 . . . . 0.0 111.124 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 3.2 tmm? -142.93 122.39 13.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.451 HD22 ' N ' ' A' ' 63' ' ' LEU . 2.9 mm? -102.69 151.3 22.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.968 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -156.37 108.78 2.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.4 tp -126.81 110.29 12.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 20.6 t -96.43 140.28 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.145 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 40.0 t -131.01 106.01 11.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.154 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 76.3 mtt180 -85.91 171.26 11.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 57.11 53.97 7.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.434 ' CD1' HG11 ' A' ' 20' ' ' VAL . 10.9 mt -65.76 173.84 2.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.938 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -174.33 147.43 1.2 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.603 0.716 . . . . 0.0 110.877 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 -6.38 18.42 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.72 2.28 . . . . 0.0 112.4 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -86.38 -17.92 33.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 75' ' ' SER . 10.8 m-20 -90.28 -3.16 57.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 74' ' ' ASP . 40.4 m -36.71 106.98 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -167.15 -173.81 35.73 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.477 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.82 139.6 49.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.84 0.352 . . . . 0.0 110.836 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -105.18 127.46 52.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 37.3 t -112.11 136.07 51.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.874 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 40.4 t -115.7 121.55 42.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.6 p -85.87 140.94 29.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.846 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.552 ' CE2' HD13 ' A' ' 32' ' ' LEU . 2.1 t80 -164.44 107.26 0.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 71.94 -106.36 1.9 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.524 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -121.44 -28.39 4.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.766 0.317 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -89.68 154.6 19.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.943 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 27.8 m -142.84 147.11 34.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.205 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 11.3 t -128.9 145.86 51.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.149 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.0 p -137.53 142.15 41.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -138.19 142.82 40.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.07 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 26.5 m -85.54 146.55 26.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 23.8 tp -107.32 127.0 53.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 39.0 m -97.95 115.09 27.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.187 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 55.8 t -117.19 108.7 25.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.118 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 16.5 m -81.86 141.76 33.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.185 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -83.04 112.9 20.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.132 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.466 HD11 ' N ' ' A' ' 97' ' ' PRO . 0.5 OUTLIER -51.99 145.6 17.15 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.6 0.714 . . . . 0.0 110.914 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.466 ' N ' HD11 ' A' ' 96' ' ' LEU . 53.3 Cg_endo -69.83 105.39 1.49 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.658 2.239 . . . . 0.0 112.311 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 50.3 m -94.17 -45.09 7.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -49.38 146.19 7.14 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.513 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 101' ' ' SER . 53.8 Cg_endo -69.74 -6.37 18.43 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.71 2.274 . . . . 0.0 112.354 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 100' ' ' PRO . 8.1 t -34.55 121.37 0.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.857 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 28.2 t -112.46 -176.04 2.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.48 -179.983 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.1 t -68.86 167.52 15.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.882 0.372 . . . . 0.0 110.897 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m 36.97 50.4 0.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.826 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.26 109.45 0.4 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.476 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -44.05 126.5 4.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.877 0.37 . . . . 0.0 110.83 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.2 p -88.25 113.78 24.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.815 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.47 170.71 18.62 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.47 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 150.89 68.65 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.691 2.261 . . . . 0.0 112.338 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.41 ' CG1' ' HB3' ' A' ' 32' ' ' LEU . 85.1 t -77.1 112.45 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.132 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.3 mmm180 -78.34 133.62 37.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -73.83 90.29 1.89 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 55.2 tp60 -63.17 -50.83 68.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.887 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -131.61 65.99 1.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.47 171.48 0.6 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.11 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 47.7 mt -39.03 147.05 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.9 ptmm? -127.24 167.29 16.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -82.93 122.56 28.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.2 mp -113.82 168.31 9.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.906 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -136.1 112.46 9.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.448 HG12 ' N ' ' A' ' 21' ' ' LEU . 10.7 t -130.0 149.49 33.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.139 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.448 ' N ' HG12 ' A' ' 20' ' ' VAL . 4.8 tp -82.56 149.21 27.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.916 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -54.46 145.62 17.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.72 18.66 69.9 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.467 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -118.06 -143.41 7.34 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.495 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.429 ' CA ' HD12 ' A' ' 70' ' ' LEU . . . -141.8 143.75 33.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.833 0.349 . . . . 0.0 111.093 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -111.3 124.82 53.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.126 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 99.9 m -112.29 103.23 11.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.4 mp -96.57 118.47 33.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.407 ' CB ' ' O ' ' A' ' 63' ' ' LEU . 4.7 ptt-85 -132.92 147.41 52.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.3 p -146.95 141.76 26.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.3 t -104.34 145.76 12.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.41 ' HB3' ' CG1' ' A' ' 9' ' ' VAL . 5.0 mp -118.07 153.32 33.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 67.8 p -49.84 -40.84 43.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.0 m -123.22 176.15 6.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.83 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 66.3 t -105.49 85.09 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.125 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.479 ' HB1' ' CE2' ' A' ' 82' ' ' PHE . . . -107.01 143.63 34.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.479 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . . . -168.01 166.98 7.05 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.535 0.683 . . . . 0.0 111.11 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.565 ' O ' ' CE1' ' A' ' 82' ' ' PHE . 53.5 Cg_endo -69.71 177.83 27.38 Favored 'Cis proline' 0 C--O 1.232 0.175 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.357 -0.074 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.2 m -115.73 172.34 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.136 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 35.4 tttt -122.6 119.59 31.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.477 ' CZ3' HD21 ' A' ' 65' ' ' LEU . 21.5 m95 -108.7 118.46 36.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.946 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 16.6 p -139.58 152.26 46.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 10.1 t80 -133.69 104.82 6.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.64 -90.31 0.55 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.459 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -119.64 -58.41 1.9 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.76 0.314 . . . . 0.0 110.864 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -63.78 140.8 58.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.8 t -82.82 143.16 12.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.8 mt -89.31 134.58 34.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 54.9 mtp180 -136.42 145.35 51.29 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.62 0.724 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 144.1 53.02 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.696 2.264 . . . . 0.0 112.352 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -173.44 -125.75 0.86 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.448 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -98.96 -54.29 3.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.92 0.391 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.6 tmtm? -64.11 -25.54 68.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -120.36 -179.48 3.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.8 t -167.26 106.97 0.59 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.88 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.46 HD23 ' CD1' ' A' ' 41' ' ' TRP . 5.6 mp -108.66 131.67 54.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.429 ' HG3' ' N ' ' A' ' 58' ' ' GLN . 7.0 tpp85 -141.45 146.69 36.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.429 ' N ' ' HG3' ' A' ' 57' ' ' ARG . 31.7 tt0 -115.06 121.06 41.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.919 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -119.35 80.11 1.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.857 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 46.58 93.87 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.53 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 49.91 36.52 11.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.779 0.323 . . . . 0.0 111.093 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 4.0 ttp -143.26 118.74 10.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.442 HD21 ' N ' ' A' ' 63' ' ' LEU . 2.8 mm? -94.32 158.69 15.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.959 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -153.22 124.55 7.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.477 HD21 ' CZ3' ' A' ' 41' ' ' TRP . 50.5 tp -125.81 106.99 10.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.7 t -92.21 131.77 38.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.142 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 97.8 t -129.97 114.99 31.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.155 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -91.45 172.81 8.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.7 t30 53.5 51.79 14.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.429 HD12 ' CA ' ' A' ' 25' ' ' ALA . 13.0 mt -60.98 142.84 56.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.925 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 -139.96 152.49 67.89 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.6 0.714 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -6.44 18.63 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.663 2.242 . . . . 0.0 112.351 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -97.89 -22.79 16.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.932 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 75' ' ' SER . 0.9 OUTLIER -70.22 -36.47 74.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 74' ' ' ASP . 47.2 m -36.98 132.63 0.67 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -170.01 -138.94 2.61 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.463 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 65.1 ttp85 -127.67 116.97 21.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.799 0.333 . . . . 0.0 110.924 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -89.2 160.11 17.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.935 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 84.0 p -161.12 151.87 18.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 47.6 t -136.99 134.47 36.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 72.7 m -109.08 117.57 34.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.812 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.565 ' CE1' ' O ' ' A' ' 38' ' ' PRO . 7.5 t80 -164.3 142.25 6.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 57.11 31.79 62.28 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.524 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 66.53 26.18 9.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.802 0.334 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -117.03 159.3 22.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 31.3 m -143.55 109.91 5.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.176 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 9.8 t -100.59 159.46 15.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.122 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 98.7 p -143.73 131.79 21.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -138.29 176.19 8.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.12 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 4.5 m -131.12 156.26 45.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.155 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 48.1 tp -128.79 142.54 50.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 62.1 m -117.78 132.67 56.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.151 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 89.0 t -129.81 123.2 56.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.148 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 25.1 m -88.04 129.13 35.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.128 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.38 120.28 17.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.084 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.46 HD11 ' N ' ' A' ' 97' ' ' PRO . 0.5 OUTLIER -75.02 146.41 82.39 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.569 0.7 . . . . 0.0 110.91 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.46 ' N ' HD11 ' A' ' 96' ' ' LEU . 53.7 Cg_endo -69.73 98.09 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.713 2.275 . . . . 0.0 112.312 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.5 t -114.54 133.95 55.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -160.12 -81.09 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.516 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 127.62 14.82 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.652 2.235 . . . . 0.0 112.337 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 18.6 m -37.26 130.3 0.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 30.0 t -140.32 146.57 38.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.484 -179.971 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.0 t -147.82 158.5 44.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.866 0.365 . . . . 0.0 110.838 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.6 p -66.71 -12.82 60.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.879 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.95 92.15 0.14 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.497 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.8 t -154.79 130.8 10.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.901 0.381 . . . . 0.0 110.851 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.7 m -146.05 128.2 15.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.63 -82.56 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.519 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 147.42 62.98 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.692 2.262 . . . . 0.0 112.338 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 85.9 t -74.77 119.07 21.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.132 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 69.3 mtt-85 -101.84 163.47 12.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -74.02 93.78 2.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.37 -62.05 1.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -118.59 57.05 0.87 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -48.55 177.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.3 mt -58.57 178.7 0.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -155.49 160.07 40.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -63.67 129.98 42.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.836 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.455 ' CD1' ' HG ' ' A' ' 28' ' ' LEU . 9.7 mt -123.11 137.01 55.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.401 ' C ' HG23 ' A' ' 20' ' ' VAL . 10.9 tt0 -112.68 110.37 20.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.401 HG23 ' C ' ' A' ' 19' ' ' GLU . 44.1 t -137.1 149.81 26.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.09 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 2.3 tt -75.62 152.03 37.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -61.73 179.57 0.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 52.16 44.89 57.59 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.513 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -151.36 -143.24 3.67 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.8 -0.715 . . . . 0.0 112.515 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -139.49 137.46 35.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.777 0.322 . . . . 0.0 111.093 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.444 ' N ' HD12 ' A' ' 70' ' ' LEU . . . -113.76 113.34 24.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.114 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 46.1 m -105.58 120.73 42.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.165 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.455 ' HG ' ' CD1' ' A' ' 18' ' ' LEU . 6.7 mp -99.19 164.79 12.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 42.5 mtm180 -151.99 151.6 31.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 14.6 p -173.83 128.05 0.39 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 93.8 t -104.19 141.39 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.572 ' CD2' ' N ' ' A' ' 32' ' ' LEU . 0.7 OUTLIER -92.82 155.19 17.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 45.4 t -45.0 -24.72 0.25 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 t -158.12 152.24 24.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 39.0 t -53.14 107.34 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.12 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.96 136.6 37.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.13 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.475 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . . . -173.87 166.92 2.54 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.599 0.714 . . . . 0.0 111.121 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.475 ' HA ' ' CB ' ' A' ' 37' ' ' ALA . 54.3 Cg_endo -69.71 176.33 32.88 Favored 'Cis proline' 0 C--N 1.341 0.184 0 C-N-CA 122.724 -1.782 . . . . 0.0 112.326 -0.016 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 40.4 t -117.11 150.0 19.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -104.56 138.36 41.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.545 ' CZ3' HD23 ' A' ' 65' ' ' LEU . 35.4 m95 -114.09 107.59 15.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.942 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 15.7 p -118.66 124.78 48.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -132.14 95.62 3.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 81.78 -162.16 42.81 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.504 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -48.48 -65.92 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.838 0.352 . . . . 0.0 110.92 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -71.26 170.11 13.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.4 p -118.07 145.44 23.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.174 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 30.1 mt -84.77 151.01 24.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.954 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 52.3 mtp180 -140.66 147.83 50.48 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.597 0.713 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 134.53 28.22 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.7 2.266 . . . . 0.0 112.304 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -176.12 -128.22 1.1 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.5 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -89.19 -49.66 6.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.902 0.382 . . . . 0.0 110.85 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -62.27 -59.24 5.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -106.53 161.8 14.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.952 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.8 m -136.77 110.93 8.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.4 mt -113.99 114.66 26.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.962 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.472 ' HB3' ' CZ ' ' A' ' 57' ' ' ARG . 4.9 ptp180 -139.06 124.59 19.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 4.9 tm0? -98.52 144.24 28.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 60' ' ' GLY . 64.3 mt-10 -157.25 129.55 7.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.94 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 59' ' ' GLU . . . 34.78 60.85 0.63 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.439 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 52.65 47.18 25.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.798 0.332 . . . . 0.0 111.079 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 12.4 tpp -144.36 126.95 16.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -98.93 161.53 13.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -155.49 113.68 3.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.545 HD23 ' CZ3' ' A' ' 41' ' ' TRP . 8.7 tp -116.98 106.75 13.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 82.2 t -94.01 122.47 45.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 85.7 t -116.32 104.68 17.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.146 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 -82.0 162.83 22.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.843 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.41 ' O ' ' NH2' ' A' ' 71' ' ' ARG . 0.2 OUTLIER 54.09 53.66 10.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.444 HD12 ' N ' ' A' ' 26' ' ' ALA . 20.4 mt -62.58 156.25 23.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.913 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.41 ' NH2' ' O ' ' A' ' 69' ' ' ASN . 4.0 ptp85 -155.07 151.3 22.67 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.647 0.737 . . . . 0.0 110.859 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -19.72 35.56 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.723 2.282 . . . . 0.0 112.324 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -83.14 -1.33 52.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.926 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -99.44 -23.46 15.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.2 m -41.65 103.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.823 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -141.93 -150.33 5.34 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.493 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -116.4 106.23 13.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.843 0.354 . . . . 0.0 110.846 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -92.31 125.35 36.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 68.8 p -122.18 155.87 34.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.863 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 39.2 t -130.89 127.5 38.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.873 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 13.8 t -85.89 122.47 30.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -131.2 91.66 3.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.86 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 64.95 -94.08 0.17 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.492 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.78 -37.26 4.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.807 0.337 . . . . 0.0 110.908 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -84.58 151.19 24.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 88.4 m -138.28 131.43 30.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.171 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.9 t -102.94 157.89 16.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.101 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 89.0 p -150.21 128.94 12.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.837 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.98 167.53 18.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.099 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 35.5 m -117.87 131.21 56.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.157 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 15.9 tp -101.3 128.42 47.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 98.3 m -98.93 127.63 44.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.158 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 86.2 t -126.61 127.91 70.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 28.6 m -100.51 129.91 46.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.164 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.83 126.52 31.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.125 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.464 HD12 ' N ' ' A' ' 97' ' ' PRO . 0.5 OUTLIER -64.32 147.09 97.47 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.613 0.72 . . . . 0.0 110.905 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.464 ' N ' HD12 ' A' ' 96' ' ' LEU . 53.9 Cg_endo -69.71 106.62 1.68 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.674 2.249 . . . . 0.0 112.329 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 37.2 t -122.64 149.78 43.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.879 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 77.66 144.64 2.16 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.489 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -35.49 12.52 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.667 2.245 . . . . 0.0 112.338 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.5 m -60.74 114.13 2.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 24.8 m -111.32 -47.18 3.21 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.831 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.512 -179.966 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.0 t -129.57 124.72 34.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.876 0.37 . . . . 0.0 110.859 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 t -134.66 151.33 50.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.78 75.34 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.526 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.2 t -73.5 140.86 46.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.909 0.385 . . . . 0.0 110.878 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.9 t -105.4 158.09 16.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.68 154.01 24.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.495 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 169.14 19.62 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.669 2.246 . . . . 0.0 112.356 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 26.8 t -77.99 149.43 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.3 mtt-85 -112.95 161.75 16.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.444 ' CZ ' HG22 ' A' ' 87' ' ' THR . 10.6 m-85 -89.7 100.45 13.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.881 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -60.63 -52.02 66.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.934 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 14' ' ' ALA . 18.6 tp10 -131.27 46.44 2.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 13' ' ' GLU . . . -34.36 151.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.103 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.9 mt -48.46 153.41 0.76 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.3 mtpt -135.26 -179.01 5.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -61.1 147.12 44.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.849 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.4 mt -142.72 158.69 43.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.956 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -135.87 128.67 31.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.5 m -147.39 166.7 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.099 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.449 HD23 ' N ' ' A' ' 22' ' ' GLU . 2.7 tt -100.36 149.2 23.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.483 ' C ' ' CD ' ' A' ' 22' ' ' GLU . 0.2 OUTLIER -57.24 166.7 1.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.26 19.22 45.54 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.468 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -120.54 -148.74 8.12 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.466 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -140.45 143.23 35.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.85 0.357 . . . . 0.0 111.06 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -110.97 134.92 52.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 82.1 m -116.12 98.55 6.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.175 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.469 HD22 ' CD2' ' A' ' 78' ' ' TYR . 5.5 mp -95.9 107.81 20.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.3 ptt-85 -117.11 158.69 23.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 26.5 p -162.06 149.27 14.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 68.0 t -106.84 134.87 47.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.106 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.533 HD13 ' CE2' ' A' ' 82' ' ' PHE . 8.3 mt -100.75 155.22 18.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.956 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.9 t -70.76 -35.44 72.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.3 t -129.39 157.0 43.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.845 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 17.6 t -86.03 95.71 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.116 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.54 ' HB2' ' CZ ' ' A' ' 82' ' ' PHE . . . -122.57 150.99 41.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.134 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.47 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . . . -168.86 167.02 6.14 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.618 0.723 . . . . 0.0 111.088 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.47 ' HA ' ' CB ' ' A' ' 37' ' ' ALA . 53.3 Cg_endo -69.76 175.01 38.25 Favored 'Cis proline' 0 C--N 1.342 0.219 0 C-N-CA 122.65 -1.813 . . . . 0.0 112.361 -0.04 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.2 t -108.07 140.11 27.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.075 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.2 tttp -107.83 138.19 44.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.559 ' CD1' HD21 ' A' ' 56' ' ' LEU . 28.1 m95 -120.08 111.06 17.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.3 p -106.3 153.26 22.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.4 ' O ' ' C ' ' A' ' 44' ' ' GLY . 19.2 t80 -133.51 147.16 51.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.937 -179.776 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 43' ' ' TYR . . . -38.1 -49.68 2.13 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.476 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -66.48 -72.49 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.871 0.367 . . . . 0.0 110.915 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.461 ' CG ' ' N ' ' A' ' 47' ' ' VAL . 1.1 t-20 -150.68 165.17 34.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.461 ' N ' ' CG ' ' A' ' 46' ' ' ASN . 11.5 p -50.53 151.43 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.097 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.0 mt -106.42 148.9 27.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 60.1 mtm180 -132.1 146.08 60.13 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.569 0.699 . . . . 0.0 110.878 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 145.81 58.15 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.699 2.266 . . . . 0.0 112.31 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 174.54 -115.07 0.53 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.458 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -105.88 -62.18 1.4 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.89 0.376 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.65 -37.85 13.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -122.65 164.77 17.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.942 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.1 t -143.1 119.06 10.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.559 HD21 ' CD1' ' A' ' 41' ' ' TRP . 4.2 mp -113.83 127.23 55.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.952 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 16.5 ttm180 -148.22 122.15 9.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -100.2 125.16 46.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.932 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -128.57 82.45 2.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 61' ' ' ALA . . . 52.13 101.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.466 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 60' ' ' GLY . . . 37.17 42.43 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.75 0.31 . . . . 0.0 111.085 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.7 ttp -147.26 139.15 24.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 5.8 mt -132.3 152.16 51.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -154.78 113.41 3.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.535 HD22 ' CZ3' ' A' ' 41' ' ' TRP . 36.6 tp -108.39 125.76 52.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.3 t -110.48 130.72 63.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.2 t -124.64 107.2 17.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 27.8 mmt180 -86.9 170.57 11.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.5 m120 54.05 49.39 18.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 16.2 mt -65.18 172.55 2.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.935 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.6 mtp180 -162.35 157.72 19.62 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.598 0.713 . . . . 0.0 110.893 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -1.86 9.19 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.702 2.268 . . . . 0.0 112.337 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 17.2 mm100 -105.72 -37.88 6.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 75' ' ' SER . 0.8 OUTLIER -55.21 -41.16 71.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.805 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 74' ' ' ASP . 21.4 p -37.45 113.15 0.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.731 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -143.9 -124.94 1.85 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.514 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -129.85 108.56 10.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.817 0.341 . . . . 0.0 110.86 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.469 ' CD2' HD22 ' A' ' 28' ' ' LEU . 3.6 m-85 -87.17 130.45 34.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.2 m -142.63 157.01 45.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.85 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 9.8 t -141.58 130.24 22.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 50.4 m -89.02 107.01 18.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.54 ' CZ ' ' HB2' ' A' ' 36' ' ' ALA . 49.1 t80 -134.61 95.24 3.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 85.37 -141.38 18.97 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.494 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -85.45 -39.68 17.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.798 0.333 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -88.8 138.59 31.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 18.9 m -117.61 132.31 56.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' THR . . . . . 0.444 HG22 ' CZ ' ' A' ' 11' ' ' PHE . 14.0 t -90.28 157.86 17.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 94.9 p -153.79 125.76 7.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -130.55 175.83 8.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.097 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 47.6 m -134.67 145.22 48.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.2 tp -122.12 138.38 54.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 46.3 m -107.14 126.62 52.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 57.5 t -114.59 117.97 57.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.091 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 88.1 m -89.55 147.2 24.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.155 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -87.94 113.18 23.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.14 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.449 ' C ' ' CD1' ' A' ' 96' ' ' LEU . 0.5 OUTLIER -50.98 144.9 12.95 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.677 0.751 . . . . 0.0 110.911 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.44 ' N ' HD12 ' A' ' 96' ' ' LEU . 54.1 Cg_endo -69.77 104.12 1.27 Allowed 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.644 2.229 . . . . 0.0 112.395 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 33.2 t -112.18 99.31 7.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -88.61 146.38 19.35 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.485 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -1.15 7.96 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.681 2.254 . . . . 0.0 112.339 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 93.1 p -113.96 164.63 13.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.8 m -117.37 90.75 3.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.819 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.461 179.979 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.3 p 43.3 41.02 2.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.885 0.374 . . . . 0.0 110.888 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.8 t -78.41 130.3 35.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.99 -100.9 2.54 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.48 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t -115.95 158.13 23.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.872 0.368 . . . . 0.0 110.854 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.0 m -42.77 -60.16 1.68 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.824 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.77 146.24 8.7 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.456 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 162.79 40.73 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.707 2.271 . . . . 0.0 112.321 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 87.9 t -139.33 124.36 21.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.15 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -117.5 143.3 46.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -63.87 80.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.0 tp60 -48.87 -54.18 16.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -132.74 58.29 1.77 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -40.83 160.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.099 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.427 ' CD2' ' HB3' ' A' ' 28' ' ' LEU . 6.1 mt -52.52 -176.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 17' ' ' ASP . 1.9 pptp? -169.23 142.52 2.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 16' ' ' LYS . 0.4 OUTLIER -37.22 141.32 0.15 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 179.88 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 mp -123.13 156.31 35.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -126.36 110.93 13.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 73.5 t -133.7 151.89 33.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.165 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 12.1 tp -91.92 142.95 26.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -47.64 149.05 1.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.13 11.04 79.41 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.459 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.411 ' C ' HD12 ' A' ' 70' ' ' LEU . . . -118.98 -147.67 8.19 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.463 -179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -140.57 152.89 45.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.831 0.348 . . . . 0.0 111.096 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -113.91 124.64 52.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.086 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 94.5 m -116.54 136.91 52.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.117 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.427 ' HB3' ' CD2' ' A' ' 15' ' ' LEU . 7.2 mp -104.85 134.87 47.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 32.3 mtm180 -134.68 127.87 31.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 23.2 p -158.3 131.35 7.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 69.1 t -104.74 137.32 34.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.123 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.1 mt -105.23 160.74 14.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 42.3 t -47.65 -41.35 22.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.6 m -149.1 142.13 24.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.422 ' HB ' ' N ' ' A' ' 61' ' ' ALA . 2.4 p -53.11 136.62 14.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.161 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -158.26 151.17 22.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.473 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . . . -174.68 166.96 2.15 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.625 0.726 . . . . 0.0 111.114 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.473 ' HA ' ' CB ' ' A' ' 37' ' ' ALA . 53.9 Cg_endo -69.72 168.32 67.76 Favored 'Cis proline' 0 C--N 1.342 0.215 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.352 -0.035 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.6 t -112.83 152.27 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.163 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.0 tptm -109.14 130.26 55.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.561 ' CH2' ' HB2' ' A' ' 65' ' ' LEU . 38.7 m95 -109.77 161.09 15.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.903 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.8 m -149.43 133.76 17.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.464 ' CB ' HD23 ' A' ' 48' ' ' LEU . 0.5 OUTLIER -150.85 132.46 14.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.951 -179.789 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 43' ' ' TYR . . . 34.54 59.87 0.65 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.5 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 60.0 t30 52.83 48.33 22.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.873 0.368 . . . . 0.0 110.906 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -158.05 -176.4 5.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.2 p -115.71 135.5 55.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.089 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.466 HD11 ' CD2' ' A' ' 65' ' ' LEU . 70.5 mt -96.17 91.32 5.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 62.0 mtm180 -101.19 155.17 36.65 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.622 0.725 . . . . 0.0 110.886 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 161.22 46.79 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.706 2.271 . . . . 0.0 112.309 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 162.76 -137.98 5.11 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.524 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -87.35 -33.71 19.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.871 0.367 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.3 tptm -88.83 -39.2 14.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.943 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -118.97 173.84 6.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.948 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.2 m -157.3 144.63 18.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.821 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.462 HD11 ' CD1' ' A' ' 65' ' ' LEU . 8.6 mp -134.27 134.59 42.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.952 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 39.8 mtt180 -145.44 118.98 9.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.431 ' NE2' HD13 ' A' ' 63' ' ' LEU . 5.3 tp60 -91.49 130.21 37.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 60' ' ' GLY . 17.5 tt0 -127.59 81.37 2.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 59' ' ' GLU . . . 35.46 88.62 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.455 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.422 ' N ' ' HB ' ' A' ' 35' ' ' VAL . . . 59.69 50.79 6.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.782 0.325 . . . . 0.0 111.091 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 4.7 ttt -163.06 115.81 1.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.431 HD13 ' NE2' ' A' ' 58' ' ' GLN . 2.5 mm? -88.08 159.44 18.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -155.7 116.01 3.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.561 ' HB2' ' CH2' ' A' ' 41' ' ' TRP . 24.7 tp -126.1 104.62 8.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.954 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 55.7 t -86.59 129.47 38.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.145 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 15.7 t -119.71 117.21 53.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.136 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 86.6 mtt180 -105.64 164.41 11.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.9 m120 66.97 49.6 1.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.451 ' O ' ' CG ' ' A' ' 71' ' ' ARG . 12.7 mt -58.95 160.12 6.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.451 ' CG ' ' O ' ' A' ' 70' ' ' LEU . 15.3 mtm105 -161.13 152.76 16.18 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.607 0.718 . . . . 0.0 110.889 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -6.35 18.38 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.663 2.242 . . . . 0.0 112.347 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -107.4 -19.92 13.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.943 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -74.68 -25.71 59.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 67.3 m -49.61 105.33 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -138.05 -148.51 5.37 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.474 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 24.7 ttm180 -130.57 118.06 20.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.822 0.344 . . . . 0.0 110.837 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.613 ' CD1' ' N ' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -122.24 135.25 54.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 -179.873 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 69.4 p -129.28 146.72 51.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 2.7 t -99.87 129.02 45.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.854 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 51.8 p -101.04 117.33 34.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -143.83 121.0 11.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 67.16 -108.87 2.61 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.469 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -117.81 -33.47 4.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.749 0.309 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -85.75 154.46 21.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 95.2 m -144.92 134.37 23.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.165 -179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.8 t -108.82 136.93 47.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.205 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.9 t -120.82 138.21 54.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.864 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -132.18 170.9 14.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.087 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 75.8 m -131.28 147.87 52.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 32.4 tp -106.67 138.09 43.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 91.7 m -120.77 111.77 18.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.147 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 48.9 t -119.66 124.8 73.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.079 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 27.7 m -97.34 130.81 44.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.098 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.29 103.27 0.97 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.118 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.553 ' C ' ' CD1' ' A' ' 96' ' ' LEU . 0.4 OUTLIER -57.08 147.24 56.87 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.593 0.711 . . . . 0.0 110.899 -179.912 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 112.1 2.99 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.648 2.232 . . . . 0.0 112.394 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.2 t -144.6 135.1 24.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.829 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 163.97 -157.29 29.51 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.45 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 137.27 34.94 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.652 2.235 . . . . 0.0 112.329 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 31.4 t -78.66 -52.21 8.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 30.2 t -129.9 83.6 2.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.529 -179.947 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.0 m -98.01 167.05 11.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.866 0.365 . . . . 0.0 110.866 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.7 p -39.59 136.18 1.03 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.844 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.71 -158.27 1.38 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.448 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.7 p -114.61 112.11 22.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.897 0.38 . . . . 0.0 110.859 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.7 m -66.64 -55.09 16.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.61 177.13 37.02 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.496 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 178.97 4.01 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.716 2.277 . . . . 0.0 112.356 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.432 HG12 ' N ' ' A' ' 10' ' ' ARG . 75.1 t -80.21 140.8 16.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.432 ' N ' HG12 ' A' ' 9' ' ' VAL . 5.5 mpt_? -117.94 157.53 26.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -71.96 93.89 1.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -73.63 -50.85 19.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -127.02 62.19 1.34 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.7 178.95 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.464 ' CD2' ' HB3' ' A' ' 28' ' ' LEU . 9.1 mt -63.17 162.06 12.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -146.42 147.46 31.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 179.848 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 16' ' ' LYS . 2.4 p30 -34.6 123.34 0.53 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.2 mt -107.53 157.41 18.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -136.93 126.65 25.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 4.2 m -156.49 167.17 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.09 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.477 HD23 ' N ' ' A' ' 22' ' ' GLU . 1.4 tt -98.5 149.18 22.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.477 ' N ' HD23 ' A' ' 21' ' ' LEU . 10.1 pt-20 -53.3 159.79 1.28 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.36 57.81 14.11 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.467 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -148.88 -147.45 4.53 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.459 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.406 ' CA ' HD12 ' A' ' 70' ' ' LEU . . . -141.0 115.5 9.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.82 0.343 . . . . 0.0 111.13 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.432 ' N ' HD12 ' A' ' 70' ' ' LEU . . . -121.25 120.95 36.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.102 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.7 t -110.13 149.86 29.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.137 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.464 ' HB3' ' CD2' ' A' ' 15' ' ' LEU . 6.0 mp -101.66 135.0 43.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 69.5 mtt180 -121.63 133.65 54.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 19.5 p -155.73 130.48 9.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.41 HG11 ' N ' ' A' ' 32' ' ' LEU . 79.1 t -107.18 145.47 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.093 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.418 HD21 ' CE2' ' A' ' 82' ' ' PHE . 4.7 mt -99.88 147.62 25.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 40.4 t -39.67 -44.38 1.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.832 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 36.9 t -148.37 163.09 38.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 88.7 t -44.05 115.46 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.91 126.9 15.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.099 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.485 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . . . -172.62 167.15 3.16 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.587 0.708 . . . . 0.0 111.111 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.485 ' HA ' ' CB ' ' A' ' 37' ' ' ALA . 53.3 Cg_endo -69.78 179.03 23.47 Favored 'Cis proline' 0 C--N 1.341 0.162 0 C-N-CA 122.679 -1.801 . . . . 0.0 112.334 0.002 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.411 ' CG2' HD21 ' A' ' 63' ' ' LEU . 50.2 t -125.91 147.22 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.3 tttt -105.48 125.41 50.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 45.6 m95 -114.05 102.66 10.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.907 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 44.1 t -118.73 128.3 54.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.678 ' CD1' ' CD1' ' A' ' 78' ' ' TYR . 16.7 t80 -110.79 102.52 11.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.894 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.94 -112.24 3.42 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.532 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 17.0 t30 -103.46 -60.16 1.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.853 0.358 . . . . 0.0 110.916 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 -73.83 114.77 12.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 8.6 p -60.35 143.91 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 60.0 mt -76.51 149.75 36.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.925 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 44.4 mtp180 -135.93 141.25 35.95 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.617 0.722 . . . . 0.0 110.851 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 146.88 61.64 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.671 2.247 . . . . 0.0 112.321 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 174.83 -94.33 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.488 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -125.53 -60.87 1.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.886 0.375 . . . . 0.0 110.878 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.4 ' HD2' ' CE2' ' A' ' 54' ' ' TYR . 6.8 tmtt? -58.44 -43.23 88.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.842 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.4 ' CE2' ' HD2' ' A' ' 53' ' ' LYS . 85.8 m-85 -107.81 149.22 28.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.949 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.2 m -136.25 130.54 33.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.437 ' N ' HD13 ' A' ' 56' ' ' LEU . 5.9 mp -129.99 124.69 33.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.2 tpt85 -125.0 107.88 11.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.853 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.8 tm0? -88.69 134.2 33.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -159.92 129.38 5.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 41.87 -111.61 0.33 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.481 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -122.89 30.72 6.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.784 0.325 . . . . 0.0 111.076 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -126.75 142.05 51.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.411 HD21 ' CG2' ' A' ' 39' ' ' VAL . 7.1 mt -128.73 152.42 48.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -147.8 115.09 6.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.7 tp -112.9 102.91 10.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.437 HG12 ' N ' ' A' ' 67' ' ' VAL . 91.6 t -79.73 141.28 15.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.093 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.437 ' N ' HG12 ' A' ' 66' ' ' VAL . 91.3 t -132.55 107.41 12.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.128 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 37.0 mtt-85 -92.53 167.85 11.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 49.2 t30 60.89 54.67 3.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.432 HD12 ' N ' ' A' ' 26' ' ' ALA . 34.4 mt -76.21 164.19 26.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.942 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 25.1 mtp180 -160.08 158.9 26.84 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.607 0.718 . . . . 0.0 110.885 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 3.25 2.92 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.65 2.233 . . . . 0.0 112.343 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 24.0 mm100 -109.57 -38.55 5.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 75' ' ' SER . 67.0 m-20 -51.85 -40.03 59.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.843 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 74' ' ' ASP . 4.0 m -34.51 108.48 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -141.97 -132.65 2.76 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.499 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.462 ' CZ ' ' HB3' ' A' ' 77' ' ' ARG . 20.5 ttp-105 -130.57 104.41 7.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.863 0.363 . . . . 0.0 110.921 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.678 ' CD1' ' CD1' ' A' ' 43' ' ' TYR . 49.1 m-85 -95.59 139.38 31.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 67.9 m -144.88 152.72 40.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 11.1 t -124.15 128.8 49.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 31.9 t -88.4 123.91 33.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.853 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.418 ' CE2' HD21 ' A' ' 32' ' ' LEU . 28.7 t80 -141.3 117.72 10.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 55.34 -102.57 0.17 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.453 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -119.16 -32.67 4.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.729 0.3 . . . . 0.0 110.879 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -85.68 148.01 26.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 85.7 m -130.88 152.89 49.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.096 -179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.3 t -121.83 158.87 27.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.136 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 88.2 p -151.21 132.94 14.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.837 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -133.02 170.35 15.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.116 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 35.8 m -132.32 125.25 30.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.104 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 34.6 tp -95.63 139.92 31.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.938 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 97.8 m -103.74 126.26 50.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 64.6 t -119.0 117.66 55.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.095 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 91.5 m -91.98 141.59 28.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.13 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -83.36 125.18 31.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.464 HD13 ' N ' ' A' ' 97' ' ' PRO . 0.5 OUTLIER -73.9 147.35 86.2 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.581 0.705 . . . . 0.0 110.906 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.464 ' N ' HD13 ' A' ' 96' ' ' LEU . 53.4 Cg_endo -69.82 102.95 1.1 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.666 2.244 . . . . 0.0 112.336 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.1 t -60.4 146.4 44.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 143.39 173.19 14.77 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.442 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 88.98 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.717 2.278 . . . . 0.0 112.306 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.1 m -57.44 159.52 4.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.855 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 40.9 t -69.56 129.03 38.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.5 -179.965 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.3 m -124.77 156.24 38.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.842 0.353 . . . . 0.0 110.87 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.7 t -99.15 88.24 3.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.815 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.43 -131.08 1.82 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.493 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m 48.25 45.16 20.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.886 0.374 . . . . 0.0 110.855 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.6 p -89.4 150.22 22.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.901 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.86 -179.62 16.32 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.474 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -178.4 2.31 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.666 2.244 . . . . 0.0 112.366 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 55.5 t -74.83 135.9 26.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.171 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.424 ' NH1' ' HB3' ' A' ' 10' ' ' ARG . 4.5 mmm180 -99.58 129.07 45.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -58.56 89.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 38.7 tp60 -63.53 -66.1 0.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -122.57 68.5 0.96 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.2 174.35 0.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.066 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.2 mt -52.7 157.28 1.64 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.8 pttt -141.86 159.13 42.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -47.04 135.24 9.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.447 HD23 ' CG2' ' A' ' 20' ' ' VAL . 12.4 tp -128.54 144.34 51.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -113.2 118.2 34.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.447 ' CG2' HD23 ' A' ' 18' ' ' LEU . 16.5 t -142.96 153.31 17.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.076 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.2 tt -88.07 154.62 20.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -69.39 157.78 36.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.79 27.62 68.67 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.464 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -137.14 -139.63 3.94 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.479 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -137.16 145.62 43.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.773 0.32 . . . . 0.0 111.07 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -111.69 123.18 49.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.1 m -116.01 114.85 25.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.2 mp -105.12 161.08 14.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 63.5 mtm-85 -145.81 157.69 43.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 26.1 p -167.66 125.4 1.2 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 46.9 t -104.21 121.67 56.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 23.4 mt -84.59 174.19 10.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.946 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.7 t -57.33 -32.13 66.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 8.1 t -165.77 179.17 6.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 77.9 t -59.35 111.33 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.137 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.555 ' HB1' ' CZ ' ' A' ' 82' ' ' PHE . . . -135.0 119.51 18.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.069 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.469 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . . . -171.72 166.97 3.82 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.597 0.713 . . . . 0.0 111.059 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.469 ' HA ' ' CB ' ' A' ' 37' ' ' ALA . 53.8 Cg_endo -69.71 154.31 93.09 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.726 -1.781 . . . . 0.0 112.364 -0.026 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.0 t -105.37 162.28 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.172 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 44.6 tttm -110.86 148.36 32.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.566 ' CZ3' HD22 ' A' ' 65' ' ' LEU . 25.7 m95 -127.96 140.46 51.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 15.3 p -153.3 133.81 13.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.442 ' CD1' ' CE1' ' A' ' 78' ' ' TYR . 6.3 t80 -116.93 108.82 16.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.948 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.61 -99.18 0.72 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.484 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -128.04 45.37 2.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.825 0.345 . . . . 0.0 110.927 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -160.43 157.3 27.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.0 p -99.64 119.71 48.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.098 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 74.6 mt -72.51 136.66 45.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.408 ' NH1' ' HB2' ' A' ' 49' ' ' ARG . 16.7 mtm105 -125.08 143.9 45.58 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.637 0.732 . . . . 0.0 110.881 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 129.79 18.25 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.672 2.248 . . . . 0.0 112.304 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -160.3 -140.4 2.88 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.512 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -85.31 -38.66 18.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.932 0.396 . . . . 0.0 110.887 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.2 tptm -73.66 -64.2 1.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -83.46 150.13 26.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 26.6 m -132.9 98.78 4.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.442 HD13 ' N ' ' A' ' 56' ' ' LEU . 5.4 mp -108.41 100.91 10.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -105.37 108.48 20.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 23.2 tm0? -78.53 141.48 38.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -153.79 110.6 3.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.838 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 47.48 -123.13 8.16 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.465 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -102.69 53.3 0.78 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.786 0.327 . . . . 0.0 111.088 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 22.2 ttp -155.43 140.14 17.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.527 ' CD2' ' N ' ' A' ' 63' ' ' LEU . 0.7 OUTLIER -121.66 132.85 54.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -122.39 135.81 54.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.84 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.566 HD22 ' CZ3' ' A' ' 41' ' ' TRP . 9.9 tp -135.46 116.79 14.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 73.7 t -110.0 115.65 50.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.076 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.0 t -113.97 107.24 22.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.111 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -80.6 179.36 7.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.837 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 56.32 45.42 22.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 12.3 mt -60.8 153.55 24.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 40.2 mtt-85 -149.33 153.26 37.21 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.612 0.72 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -6.64 19.07 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.71 2.273 . . . . 0.0 112.322 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -113.62 -29.84 7.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -55.84 -40.98 73.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.2 p -39.87 150.46 0.05 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.816 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -167.45 -125.23 0.76 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.474 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 36.3 ttp180 -128.67 99.53 5.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.878 0.37 . . . . 0.0 110.871 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.442 ' CE1' ' CD1' ' A' ' 43' ' ' TYR . 63.5 m-85 -90.02 107.78 19.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.0 p -127.34 124.42 38.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 36.0 t -91.23 136.64 32.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.919 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.3 m -106.42 132.57 52.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.555 ' CZ ' ' HB1' ' A' ' 36' ' ' ALA . 28.2 t80 -163.56 135.81 5.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 56.34 -116.6 7.7 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.489 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -115.19 -24.27 8.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.733 0.301 . . . . 0.0 110.862 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 26.8 mp0 -90.46 155.22 19.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 87.8 m -144.25 126.49 15.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.6 t -99.8 152.44 20.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.137 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 83.5 p -139.56 136.32 34.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -139.08 166.67 23.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.112 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 58.6 m -128.08 135.58 50.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.166 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 15.0 tp -99.67 125.44 45.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.955 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 55.3 m -95.36 106.42 18.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.126 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 59.4 t -96.78 118.46 43.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.142 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.8 m -85.12 124.57 31.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.112 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 96' ' ' LEU . . . -75.46 117.5 17.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.119 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.432 ' C ' ' O ' ' A' ' 95' ' ' ALA . 9.8 mt -35.75 145.48 0.22 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.627 0.727 . . . . 0.0 110.913 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 177.37 5.63 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.716 2.277 . . . . 0.0 112.325 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.4 m -86.89 -53.25 5.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 148.46 -81.41 0.2 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.54 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 134.42 27.92 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.699 2.266 . . . . 0.0 112.384 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.4 t -133.76 177.68 7.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.4 t -134.92 100.8 4.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.832 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.487 179.967 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 t -70.75 -51.69 25.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.848 0.356 . . . . 0.0 110.866 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.7 p -131.64 149.83 52.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.93 147.48 10.87 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.51 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -86.56 160.82 18.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.862 0.363 . . . . 0.0 110.86 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.1 m -111.6 158.91 18.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.833 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.96 -158.3 7.53 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.44 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -177.94 2.11 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.657 2.238 . . . . 0.0 112.333 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 56.0 t -84.26 106.05 14.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.4 mtm105 -76.27 -175.03 3.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -124.56 86.95 2.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 46.2 tp60 -62.96 -53.44 54.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.871 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -132.17 74.54 1.59 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.871 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.87 178.49 0.8 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.101 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.1 mt -55.93 148.28 17.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.955 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.12 151.33 51.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -42.0 154.79 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.5 mt -136.88 150.68 48.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -128.82 126.26 39.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.478 ' CG2' ' N ' ' A' ' 21' ' ' LEU . 2.6 p -157.17 160.18 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.136 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.478 ' N ' ' CG2' ' A' ' 20' ' ' VAL . 3.2 tp -107.06 131.6 53.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 21' ' ' LEU . 9.8 tp10 -37.78 125.7 1.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 112.42 41.08 1.07 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.475 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -160.53 -144.68 4.05 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.479 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -139.58 153.17 47.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.783 0.325 . . . . 0.0 111.116 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -118.24 130.11 55.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.128 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 26.2 m -122.58 127.3 49.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 4.6 mp -109.11 132.45 54.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.888 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.4 mtm105 -124.26 131.84 53.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.5 p -150.55 131.68 14.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.849 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 46.9 t -103.45 136.06 38.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.191 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 22.2 mt -95.5 146.6 24.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 t -45.59 -31.79 2.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.1 m -140.89 174.45 10.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.831 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 84.6 t -85.11 95.65 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.147 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.03 129.9 38.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.473 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . . . -174.96 166.97 2.01 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.609 0.718 . . . . 0.0 111.061 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.473 ' HA ' ' CB ' ' A' ' 37' ' ' ALA . 54.0 Cg_endo -69.75 -179.9 20.43 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.343 -0.014 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.9 m -123.01 175.32 6.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.7 tptp -110.82 122.18 47.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 52.8 m95 -99.98 160.11 14.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.921 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 46.5 t -152.28 119.93 6.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.443 ' O ' ' C ' ' A' ' 44' ' ' GLY . 4.3 t80 -146.89 111.13 5.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 43' ' ' TYR . . . 34.9 37.27 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.518 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 26.5 t30 -171.19 178.85 3.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.878 0.37 . . . . 0.0 110.849 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -70.74 -63.29 1.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 8.3 p -144.07 139.83 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.138 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 38.3 mt -88.58 146.2 25.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 47.9 mtp180 -124.26 143.99 44.38 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.596 0.712 . . . . 0.0 110.822 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 145.13 55.97 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.653 2.235 . . . . 0.0 112.372 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -179.75 -146.99 7.14 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.489 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -80.62 -46.61 15.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.874 0.369 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.1 tptt -61.32 -44.91 96.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -111.89 172.15 7.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.9 m -154.02 110.37 3.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.848 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.5 mp -105.7 109.32 21.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 36.4 ttp180 -126.03 115.46 19.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.461 ' OE1' ' CD1' ' A' ' 63' ' ' LEU . 26.5 tp60 -85.79 137.71 32.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -133.35 82.55 2.0 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.21 -97.43 0.59 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.495 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -123.63 31.71 5.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.785 0.326 . . . . 0.0 111.137 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 18.1 tmm? -134.75 136.81 42.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.461 ' CD1' ' OE1' ' A' ' 58' ' ' GLN . 2.4 mm? -101.57 139.17 37.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.457 ' OE1' ' C ' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -128.65 127.07 41.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.916 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.8 tp -131.85 123.6 27.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.4 ' C ' HG22 ' A' ' 67' ' ' VAL . 56.6 t -111.63 148.73 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.4 HG22 ' C ' ' A' ' 66' ' ' VAL . 49.0 t -136.83 105.34 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 46.7 mtp180 -84.07 155.86 22.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 64.09 48.99 2.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 85.9 mt -53.92 152.41 5.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 84.3 mtm180 -143.86 151.87 54.08 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.601 0.715 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -2.43 10.16 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.696 2.264 . . . . 0.0 112.322 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -106.13 -26.45 11.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.1 -39.99 88.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 50.5 p -45.6 101.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.838 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -133.06 -120.41 2.12 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.504 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 19.7 ttm180 -129.0 94.3 3.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.851 0.358 . . . . 0.0 110.929 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.405 ' CE2' ' CG ' ' A' ' 43' ' ' TYR . 75.9 m-85 -87.83 103.88 16.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 82.7 p -117.36 145.22 44.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.834 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.9 t -118.2 110.53 17.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.858 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 70.6 m -97.63 127.95 43.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -162.75 109.63 1.23 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 91.99 -105.08 3.25 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.447 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -126.63 -41.08 1.88 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.798 0.332 . . . . 0.0 110.85 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -84.85 152.66 23.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 83.1 m -144.85 136.21 25.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.2 t -116.96 161.63 19.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.156 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 76.6 p -141.66 151.65 43.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.857 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -141.35 174.5 10.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.079 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 15.8 m -134.73 150.78 50.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 54.4 tp -115.81 136.47 53.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 40.0 m -103.46 112.0 24.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.188 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 59.9 t -122.79 108.7 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.164 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 27.1 m -90.49 135.73 33.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.76 121.7 13.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.084 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.406 ' CD2' ' HD2' ' A' ' 97' ' ' PRO . 13.8 mt -40.21 152.9 0.21 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.609 0.719 . . . . 0.0 110.906 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 98' ' ' SER . 53.1 Cg_endo -69.84 2.61 3.42 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.687 2.258 . . . . 0.0 112.305 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 97' ' ' PRO . 5.2 t -34.8 116.31 0.32 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 154.75 -160.15 29.45 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.472 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 110.4 2.54 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.68 2.254 . . . . 0.0 112.318 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 43.6 m -129.7 144.22 51.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.0 t -90.29 108.78 19.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.887 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.494 179.994 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -138.22 129.55 27.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.876 0.37 . . . . 0.0 110.83 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.8 t -43.07 -49.52 6.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.848 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.65 77.23 1.67 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.484 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -107.31 -53.2 2.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.864 0.364 . . . . 0.0 110.806 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.7 p -68.2 140.12 56.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.67 146.01 9.73 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.448 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 175.21 8.4 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.668 2.245 . . . . 0.0 112.335 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.46 HG13 ' N ' ' A' ' 10' ' ' ARG . 89.6 t -104.86 137.44 34.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.09 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.46 ' N ' HG13 ' A' ' 9' ' ' VAL . 55.9 mtt-85 -104.98 149.91 25.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -74.94 104.9 5.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.478 ' HG3' ' N ' ' A' ' 13' ' ' GLU . 1.8 pt20 -83.86 -36.54 23.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.931 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.478 ' N ' ' HG3' ' A' ' 12' ' ' GLN . 8.2 mm-40 -134.97 50.87 2.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -45.47 165.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.123 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.6 mt -54.0 173.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.929 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.503 ' O ' ' CD1' ' A' ' 18' ' ' LEU . 32.8 mtmt -154.41 134.48 13.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.912 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -40.11 119.21 1.0 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.861 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.503 ' CD1' ' O ' ' A' ' 16' ' ' LYS . 3.0 mp -110.06 164.47 12.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.406 ' C ' HG23 ' A' ' 20' ' ' VAL . 1.6 tm-20 -128.07 122.74 32.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.406 HG23 ' C ' ' A' ' 19' ' ' GLU . 97.3 t -141.72 155.31 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.4 tt -90.06 147.55 23.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.938 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -60.54 142.63 55.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.52 37.84 8.58 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -149.25 -141.86 3.5 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.544 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -142.19 141.23 32.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.818 0.342 . . . . 0.0 111.09 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -112.89 116.87 30.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.086 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 25.3 m -102.31 113.21 26.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.1 mp -92.88 142.06 27.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 55.6 mtt180 -126.38 147.6 49.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 27.1 p -172.78 127.93 0.49 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.421 HG12 ' N ' ' A' ' 32' ' ' LEU . 59.7 t -103.37 146.71 10.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.522 HD21 ' CE2' ' A' ' 82' ' ' PHE . 8.8 mt -103.89 148.24 26.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.6 t -38.23 -43.55 0.79 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.826 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 81.7 p -139.26 172.32 12.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 53.8 t -75.49 95.96 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.146 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -124.73 135.33 52.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.059 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.487 ' CB ' ' HA ' ' A' ' 38' ' ' PRO . . . -175.07 167.45 1.9 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.576 0.703 . . . . 0.0 111.106 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.487 ' HA ' ' CB ' ' A' ' 37' ' ' ALA . 54.4 Cg_endo -69.71 -179.52 19.3 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.347 -0.021 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.1 m -120.33 176.16 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.108 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 39.5 tttt -126.58 124.82 40.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.473 ' CZ3' HD23 ' A' ' 65' ' ' LEU . 62.5 m95 -110.15 112.5 24.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.1 p -127.04 125.16 40.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -116.04 94.12 4.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.37 -152.56 43.43 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.488 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 23.2 m-20 -49.57 -58.96 4.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.827 0.346 . . . . 0.0 110.872 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -70.64 171.23 10.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.1 t -119.16 132.91 67.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.127 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.52 HD23 ' CE2' ' A' ' 54' ' ' TYR . 81.5 mt -68.33 118.88 12.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.923 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.2 mmm180 -114.01 145.98 34.71 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.599 0.714 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 155.77 65.1 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.702 2.268 . . . . 0.0 112.318 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 150.89 -120.2 1.08 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.519 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -99.85 -43.93 6.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.83 0.348 . . . . 0.0 110.863 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.455 ' CG ' ' CE2' ' A' ' 54' ' ' TYR . 17.0 tptm -54.34 -53.59 51.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.52 ' CE2' HD23 ' A' ' 48' ' ' LEU . 12.8 m-85 -125.29 171.89 10.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.944 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.1 t -134.29 119.18 18.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.82 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 28.9 mt -113.19 93.52 4.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.953 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 20.2 ttp180 -102.46 118.09 36.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 36.3 tp60 -89.04 127.57 35.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -141.08 124.3 16.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 41.73 -112.22 0.38 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.488 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -120.54 35.3 4.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.745 0.307 . . . . 0.0 111.083 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 5.1 ttm -137.23 143.13 42.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . 0.439 HD22 ' N ' ' A' ' 63' ' ' LEU . 3.2 mm? -106.95 151.07 25.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.894 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -135.82 124.15 23.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.473 HD23 ' CZ3' ' A' ' 41' ' ' TRP . 4.5 tp -126.88 114.89 18.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 91.0 t -104.13 131.17 53.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.4 t -117.22 108.05 23.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.105 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 26.1 mtp85 -87.14 162.79 17.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.843 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 64.44 51.76 1.96 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 81.9 mt -64.53 153.92 37.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 26.0 mmm180 -147.36 156.64 46.02 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.577 0.703 . . . . 0.0 110.9 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -19.33 36.37 Favored 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.709 2.273 . . . . 0.0 112.366 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 18.1 pm0 -102.26 -24.89 13.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -56.23 -37.99 70.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 15.7 m -40.39 112.42 0.28 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -137.4 -141.35 4.21 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.486 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 18.8 ttp180 -116.71 101.94 9.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.785 0.326 . . . . 0.0 110.894 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -90.14 124.35 34.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 68.1 m -123.83 134.83 53.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 2.9 t -110.73 121.24 44.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.3 t -100.28 131.95 45.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.522 ' CE2' HD21 ' A' ' 32' ' ' LEU . 1.2 t80 -164.29 117.74 1.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 79.65 -115.58 4.11 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.488 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -113.93 -41.76 3.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.771 0.319 . . . . 0.0 110.904 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -82.65 159.05 22.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 38.8 m -145.82 117.72 8.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.177 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.8 t -94.42 156.28 16.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.163 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 97.8 p -141.29 136.52 31.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -134.91 175.22 9.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.064 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 96.1 m -128.21 144.45 51.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 21.5 tp -110.75 138.37 47.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.941 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 47.2 m -106.57 129.97 54.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.147 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 52.7 t -126.3 123.06 62.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.171 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 25.4 m -93.04 129.22 39.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.146 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 96' ' ' LEU . . . -75.5 124.54 27.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.078 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.45 ' C ' ' O ' ' A' ' 95' ' ' ALA . 37.7 mt -34.43 148.39 0.1 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.609 0.718 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 144.24 53.4 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.69 2.26 . . . . 0.0 112.353 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 85.9 p -134.94 108.92 8.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.813 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -84.04 176.4 51.84 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.517 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -8.91 24.81 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.688 2.259 . . . . 0.0 112.324 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.9 t -77.56 -57.43 3.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 23.1 t -99.72 102.79 14.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.833 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.47 179.968 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 22.2 t . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.819 0.342 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -65.24 163.36 15.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -110.92 87.69 2.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.3 tp60 -59.89 -55.42 34.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -133.25 73.8 1.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.71 ' HB1' ' OG1' ' A' ' 87' ' ' THR . . . -60.72 -178.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.155 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.65 HD22 ' HB3' ' A' ' 28' ' ' LEU . 4.4 mt -70.25 139.2 52.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.933 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.4 mmtp -117.89 165.92 13.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -52.03 132.59 32.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.432 ' CD1' ' HG ' ' A' ' 28' ' ' LEU . 7.1 mt -113.58 145.65 40.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.918 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -120.82 111.83 18.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.569 HG21 ' CD1' ' A' ' 70' ' ' LEU . 1.0 OUTLIER -142.22 152.26 18.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.105 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.627 HD23 ' N ' ' A' ' 22' ' ' GLU . 5.7 tt -101.61 147.8 25.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.627 ' N ' HD23 ' A' ' 21' ' ' LEU . 18.6 tt0 -58.31 123.13 15.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 124.11 27.62 1.35 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.478 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -156.3 -144.33 3.9 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.511 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -137.93 146.25 43.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.778 0.323 . . . . 0.0 111.105 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -112.89 122.02 46.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.112 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.421 ' CG2' ' HG2' ' A' ' 64' ' ' GLU . 45.4 m -118.92 109.5 16.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.143 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.65 ' HB3' HD22 ' A' ' 15' ' ' LEU . 2.6 mp -82.07 158.75 23.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 50.6 mtm180 -144.56 144.66 31.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.5 p -162.42 132.77 4.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 99.1 t -104.3 128.48 57.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.7 mt -83.76 158.4 21.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.0 t -68.16 -25.37 65.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.7 t -142.2 149.71 40.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.3 t -75.66 112.54 13.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.098 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.64 152.35 36.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.861 ' HB1' ' HA ' ' A' ' 38' ' ' PRO . . . -174.95 166.94 2.02 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.59 0.709 . . . . 0.0 111.075 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.861 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 53.4 Cg_endo -69.79 174.49 40.45 Favored 'Cis proline' 0 C--O 1.231 0.148 0 C-N-CA 122.74 -1.775 . . . . 0.0 112.302 0.028 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.732 HG21 HD11 ' A' ' 63' ' ' LEU . 94.7 t -112.62 163.31 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.611 ' N ' HG12 ' A' ' 39' ' ' VAL . 20.5 tttt -113.12 136.96 52.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.967 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.736 ' CD1' HD22 ' A' ' 56' ' ' LEU . 33.7 m95 -120.45 128.48 53.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.938 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.0 p -133.81 146.29 50.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.94 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -141.64 106.47 4.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 85.16 -101.67 2.54 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.488 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -114.91 -55.24 2.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.858 0.361 . . . . 0.0 110.908 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -73.31 163.09 28.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 8.1 p -94.42 136.59 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 97.2 mt -73.17 147.21 45.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 49.5 mtt180 -132.34 146.51 61.87 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.598 0.713 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 130.78 19.88 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.677 2.251 . . . . 0.0 112.36 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -172.94 -143.2 4.1 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.492 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -81.09 -56.96 3.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.874 0.369 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.4 tptm -51.61 -51.2 57.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -114.34 152.11 31.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.3 t -135.58 107.42 7.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.82 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.736 HD22 ' CD1' ' A' ' 41' ' ' TRP . 2.8 mt -98.6 137.35 37.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 24.9 mmt-85 -141.18 135.74 31.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.3 tm0? -123.94 132.64 53.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.946 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -158.97 117.38 2.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 45.82 76.42 0.13 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.471 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 40.19 49.58 2.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.755 0.312 . . . . 0.0 111.103 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.462 ' C ' HD22 ' A' ' 63' ' ' LEU . 7.7 ttt -145.23 129.74 17.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.732 HD11 HG21 ' A' ' 39' ' ' VAL . 1.9 mm? -110.7 158.93 18.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.941 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.825 ' OE1' HG23 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -151.77 110.52 3.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.5 tp -115.6 112.27 21.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.825 HG23 ' OE1' ' A' ' 64' ' ' GLU . 48.9 t -95.8 144.4 10.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.117 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.7 t -131.89 107.77 13.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.102 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 23.1 mmt180 -85.9 164.34 17.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 58.47 45.52 16.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.569 ' CD1' HG21 ' A' ' 20' ' ' VAL . 13.0 mt -49.66 126.94 14.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 39.4 mtp85 -130.6 154.02 81.61 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.648 0.737 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -3.84 12.8 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.678 2.252 . . . . 0.0 112.364 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -107.9 -4.92 17.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -82.48 -29.69 30.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 69.5 m -48.31 114.09 0.88 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -146.39 -138.39 3.18 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.472 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -125.79 97.77 5.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.839 0.352 . . . . 0.0 110.947 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -90.89 107.49 19.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.9 p -117.19 129.93 56.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 23.3 t -96.46 123.35 40.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 41.7 m -94.31 107.87 19.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.843 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.401 ' CE1' ' HA ' ' A' ' 39' ' ' VAL . 2.7 t80 -152.16 124.65 8.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.899 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 83.45 -138.32 17.53 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.45 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -101.52 -27.18 13.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.756 0.313 . . . . 0.0 110.874 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -101.36 159.64 15.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 17.4 m -131.62 144.33 50.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.71 ' OG1' ' HB1' ' A' ' 14' ' ' ALA . 10.3 t -112.54 162.21 15.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 45.2 t -155.02 136.87 14.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.828 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -138.21 173.1 11.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.061 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 90.8 m -130.38 139.97 50.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.196 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 34.1 tp -102.66 147.28 27.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 56.6 m -114.58 116.12 28.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.136 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 62.0 t -123.28 114.11 40.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.126 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 8.0 m -94.04 128.64 40.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 96' ' ' LEU . . . -66.48 119.8 12.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.091 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.458 HD23 ' HD2' ' A' ' 97' ' ' PRO . 5.3 mt -35.82 144.0 0.26 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.556 0.694 . . . . 0.0 110.94 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.458 ' HD2' HD23 ' A' ' 96' ' ' LEU . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.156 0 C-N-CA 122.684 2.256 . . . . 0.0 112.311 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.2 t . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.82 0.343 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -74.07 143.78 45.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -81.57 92.94 6.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -63.04 -57.26 11.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -130.02 66.19 1.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.592 ' HB1' ' OG1' ' A' ' 87' ' ' THR . . . -54.47 172.42 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.072 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.7 mt -49.38 168.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.7 mtmt -140.79 171.73 13.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -76.35 123.13 25.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.6 mp -121.71 151.61 40.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -136.92 124.11 21.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.526 HG12 ' N ' ' A' ' 21' ' ' LEU . 98.2 t -142.13 158.74 20.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.618 HD12 ' HB ' ' A' ' 94' ' ' THR . 2.4 tp -83.87 143.59 29.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -51.53 166.85 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.69 36.27 92.12 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.506 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -144.23 -145.99 4.44 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.526 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -142.03 143.99 33.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.826 0.346 . . . . 0.0 111.103 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -116.85 114.74 24.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.112 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 12.0 m -104.53 105.47 15.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.594 ' N ' HD12 ' A' ' 28' ' ' LEU . 2.8 mp -91.15 150.94 21.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 26.2 mtt85 -139.51 151.99 46.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.0 p -164.15 139.46 6.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 82.3 t -115.33 143.99 23.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.404 ' N ' HD12 ' A' ' 32' ' ' LEU . 3.6 mp -110.1 156.72 20.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.953 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.1 t -53.46 -35.81 60.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.839 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.6 m -135.87 172.24 13.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.515 HG13 ' H ' ' A' ' 61' ' ' ALA . 5.9 t -92.2 105.44 16.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.422 ' HB3' ' HE2' ' A' ' 82' ' ' PHE . . . -136.94 132.51 34.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.098 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.872 ' HB1' ' HA ' ' A' ' 38' ' ' PRO . . . -161.54 167.02 13.77 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.605 0.717 . . . . 0.0 111.1 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.872 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 54.3 Cg_endo -69.65 174.32 40.66 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.728 -1.78 . . . . 0.0 112.381 -0.108 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.485 HG12 ' N ' ' A' ' 40' ' ' LYS . 30.5 t -115.4 158.05 15.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.115 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.485 ' N ' HG12 ' A' ' 39' ' ' VAL . 59.3 tttt -106.76 120.07 41.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.927 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.764 ' CD1' HD23 ' A' ' 56' ' ' LEU . 21.1 m95 -97.43 152.78 18.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 51.6 t -141.01 128.61 21.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.863 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.401 ' HB2' HD11 ' A' ' 48' ' ' LEU . 5.2 t80 -125.19 103.73 8.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.43 -88.21 0.2 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.501 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -124.61 -56.97 1.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.879 0.371 . . . . 0.0 110.872 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -66.64 159.45 27.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.428 ' O ' HG13 ' A' ' 47' ' ' VAL . 8.8 p -93.77 129.35 44.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.151 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.401 HD11 ' HB2' ' A' ' 43' ' ' TYR . 83.7 mt -69.19 140.49 54.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 32.9 mtp180 -132.27 143.97 51.14 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.592 0.71 . . . . 0.0 110.879 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 138.51 38.12 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.7 2.267 . . . . 0.0 112.337 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -178.72 -111.0 0.29 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.516 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -112.36 -60.6 1.84 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.856 0.36 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.408 ' HD2' ' CZ ' ' A' ' 54' ' ' TYR . 2.0 tmtt? -48.4 -49.33 35.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.408 ' CZ ' ' HD2' ' A' ' 53' ' ' LYS . 82.4 m-85 -107.28 168.03 9.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.2 t -148.45 105.86 3.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.854 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.764 HD23 ' CD1' ' A' ' 41' ' ' TRP . 5.1 mp -113.87 132.88 55.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.932 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 18.5 ttt85 -138.4 159.87 40.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.598 ' OE1' HD11 ' A' ' 63' ' ' LEU . 31.8 tp60 -121.41 132.8 54.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 60' ' ' GLY . 20.2 tt0 -150.27 106.23 3.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 59' ' ' GLU . . . 34.36 72.17 0.11 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.523 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.515 ' H ' HG13 ' A' ' 35' ' ' VAL . . . 51.96 49.56 20.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.752 0.311 . . . . 0.0 111.121 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.8 ttm -146.69 112.31 5.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.598 HD11 ' OE1' ' A' ' 58' ' ' GLN . 2.7 mm? -105.77 136.19 45.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.932 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -130.71 110.11 11.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.662 HD22 ' CZ3' ' A' ' 41' ' ' TRP . 4.0 tp -102.99 117.49 34.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.2 t -104.77 138.91 27.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.083 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 95.3 t -129.95 116.2 36.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.113 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 19.5 mmt85 -93.15 163.45 13.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.5 m120 56.63 52.61 9.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 18.0 mt -63.26 143.84 57.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.95 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.0 mtp180 -142.85 152.33 58.74 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.629 0.728 . . . . 0.0 110.831 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' PRO . . . . . 0.481 ' HG2' ' NE2' ' A' ' 73' ' ' GLN . 53.5 Cg_endo -69.81 1.64 4.28 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.674 2.249 . . . . 0.0 112.328 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.481 ' NE2' ' HG2' ' A' ' 72' ' ' PRO . 22.7 mp0 -103.29 -25.04 13.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 75' ' ' SER . 3.4 m-20 -76.44 -33.19 58.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.874 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 74' ' ' ASP . 6.1 p -36.09 124.57 0.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -162.01 -137.05 2.11 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 8.2 ttp-105 -124.01 110.94 15.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.782 0.325 . . . . 0.0 110.821 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -97.15 113.83 25.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.4 p -117.43 162.67 17.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 44.1 t -131.38 112.09 12.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.8 t -85.45 128.2 34.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.422 ' HE2' ' HB3' ' A' ' 36' ' ' ALA . 2.2 t80 -161.93 131.61 4.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.858 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 57.07 -128.16 46.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.508 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -103.36 -21.68 13.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.767 0.318 . . . . 0.0 110.847 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -98.65 140.58 32.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.933 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 83.7 m -129.75 134.67 47.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.592 ' OG1' ' HB1' ' A' ' 14' ' ' ALA . 14.6 t -103.16 158.25 16.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.16 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 89.2 p -151.35 122.4 7.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -121.57 171.93 8.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.086 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 99.1 m -127.88 143.44 51.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 15.2 tp -122.38 127.17 49.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.971 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 84.8 m -101.46 122.15 43.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.145 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 47.7 t -117.18 111.24 34.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.618 ' HB ' HD12 ' A' ' 21' ' ' LEU . 9.7 m -84.1 147.04 27.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.179 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 96' ' ' LEU . . . -92.87 123.43 36.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.087 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 95' ' ' ALA . 12.6 mt -36.88 151.06 0.12 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.677 0.751 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.342 0.186 0 C-N-CA 122.665 2.243 . . . . 0.0 112.32 179.88 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.0 t . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.83 0.348 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -98.74 172.71 7.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.835 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -94.95 92.46 6.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -69.23 -53.75 18.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -127.53 64.94 1.34 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.587 ' HB1' ' OG1' ' A' ' 87' ' ' THR . . . -56.67 -175.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 31.9 mt -64.53 169.68 4.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? -148.03 174.24 12.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.4 p-10 -66.65 135.72 54.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.862 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.469 ' CD1' ' HG ' ' A' ' 28' ' ' LEU . 11.5 mt -129.99 152.55 49.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -136.62 129.4 30.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.625 HG12 ' N ' ' A' ' 21' ' ' LEU . 96.2 t -151.15 164.32 2.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.707 HD12 ' HB ' ' A' ' 94' ' ' THR . 17.5 tp -92.05 152.66 19.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.934 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -66.76 153.35 43.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.57 27.25 43.55 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.503 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -140.96 -141.05 3.93 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.476 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -141.39 145.59 35.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.809 0.338 . . . . 0.0 111.078 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.754 ' HB2' HD11 ' A' ' 70' ' ' LEU . . . -114.7 118.18 32.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.065 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 38.8 m -107.89 123.9 49.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.469 ' HG ' ' CD1' ' A' ' 18' ' ' LEU . 5.2 mp -105.32 158.35 16.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.0 mmt85 -142.68 150.26 39.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.418 ' SG ' HD23 ' A' ' 63' ' ' LEU . 29.1 p -166.45 127.09 1.68 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 37.9 t -108.85 132.68 56.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.482 HD11 ' CD2' ' A' ' 63' ' ' LEU . 4.0 mp -102.77 163.77 12.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 83.5 p -58.29 -22.93 54.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.4 m -163.31 148.86 11.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.856 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.45 ' HB ' ' N ' ' A' ' 61' ' ' ALA . 1.9 p -63.72 133.9 29.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.115 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.554 ' CB ' ' CZ ' ' A' ' 82' ' ' PHE . . . -146.17 151.16 37.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.098 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.859 ' HB1' ' HA ' ' A' ' 38' ' ' PRO . . . -174.08 167.03 2.42 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.557 0.694 . . . . 0.0 111.101 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.859 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 53.9 Cg_endo -69.72 158.83 90.47 Favored 'Cis proline' 0 C--O 1.231 0.152 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.363 -0.046 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.3 t -109.84 144.24 18.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.117 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.422 ' HD2' ' N ' ' A' ' 41' ' ' TRP . 1.4 tmmm? -105.55 136.34 45.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.422 ' N ' ' HD2' ' A' ' 40' ' ' LYS . 39.6 m95 -120.05 110.6 16.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.911 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.5 t -131.2 137.58 49.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.826 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.421 ' O ' ' CG ' ' A' ' 43' ' ' TYR . 2.9 t80 -121.47 96.1 4.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.991 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 76.49 -110.58 3.07 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.471 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -89.94 -67.14 0.86 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.815 0.34 . . . . 0.0 110.881 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 57.0 m-80 -59.41 159.84 7.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 93.2 t -111.28 124.69 68.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.161 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.4 mt -76.94 131.34 38.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 69.8 mtp180 -131.7 151.36 78.48 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.645 0.736 . . . . 0.0 110.844 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 142.28 47.84 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.676 2.251 . . . . 0.0 112.369 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -176.8 -111.83 0.3 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.511 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -110.76 -38.38 5.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.871 0.367 . . . . 0.0 110.873 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.6 mmmt -75.76 -53.74 8.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -95.12 157.83 15.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.7 t -138.66 111.91 8.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.843 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.6 mt -107.08 114.87 29.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.921 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -122.12 112.32 18.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -91.56 126.62 36.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 60' ' ' GLY . 36.0 mm-40 -126.76 82.81 2.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 59' ' ' GLU . . . 34.42 89.65 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.451 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.45 ' N ' ' HB ' ' A' ' 35' ' ' VAL . . . 64.63 48.54 2.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.795 0.331 . . . . 0.0 111.1 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.657 ' C ' HD22 ' A' ' 63' ' ' LEU . 6.1 tmm? -163.21 137.01 5.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.705 ' N ' HD22 ' A' ' 63' ' ' LEU . 1.1 mm? -127.93 150.1 50.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.928 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -144.6 114.69 7.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.7 tp -111.43 104.7 13.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 43.0 t -94.43 121.42 45.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.164 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.1 t -113.74 110.27 31.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.3 mmm-85 -83.77 168.19 16.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.8 m120 59.47 50.47 7.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.754 HD11 ' HB2' ' A' ' 26' ' ' ALA . 11.9 mt -60.74 144.4 52.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 48.4 mmm-85 -145.17 150.75 46.29 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.626 0.727 . . . . 0.0 110.849 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -15.81 37.1 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.689 2.259 . . . . 0.0 112.301 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -89.26 -5.5 57.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.935 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -98.55 -12.04 21.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.4 m -45.46 107.65 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.819 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -150.06 -163.47 11.17 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.437 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 51.4 ttp180 -120.97 119.9 33.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.841 0.353 . . . . 0.0 110.881 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -87.91 163.39 16.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 44.3 t -158.31 125.11 4.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.879 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 2.9 t -102.02 112.53 25.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.1 t -85.74 127.65 34.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.841 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.554 ' CZ ' ' CB ' ' A' ' 36' ' ' ALA . 19.6 t80 -155.53 132.0 10.35 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 59.47 -113.34 5.1 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.495 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -116.74 -35.6 4.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.787 0.327 . . . . 0.0 110.924 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -81.81 152.1 27.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 66.8 m -143.08 137.06 28.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.135 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.587 ' OG1' ' HB1' ' A' ' 14' ' ' ALA . 13.2 t -122.47 156.91 33.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 54.2 p -146.95 151.15 36.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -140.75 151.58 44.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.058 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 95.3 m -99.33 138.72 36.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 31.0 tp -115.51 122.73 46.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.937 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 63.4 m -102.58 123.67 46.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.128 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 58.2 t -115.23 127.62 72.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.161 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.707 ' HB ' HD12 ' A' ' 21' ' ' LEU . 86.6 m -88.72 139.36 30.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -91.78 129.63 37.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.09 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 69.9 mt -43.69 145.01 1.24 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.628 0.728 . . . . 0.0 110.931 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.342 0.202 0 C-N-CA 122.657 2.238 . . . . 0.0 112.321 179.911 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.576 HG21 ' HZ ' ' A' ' 82' ' ' PHE . 23.7 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.857 0.361 . . . . 0.0 111.11 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -105.18 131.07 53.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.461 ' HB3' ' HB2' ' A' ' 14' ' ' ALA . 10.8 m-85 -66.68 76.21 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -52.16 -49.02 64.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.864 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.9 mp0 -134.35 78.14 1.74 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.461 ' HB2' ' HB3' ' A' ' 11' ' ' PHE . . . -77.6 -177.36 4.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 76.7 mt -45.09 169.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.936 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 47.5 pttt -159.11 162.94 36.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -50.17 140.14 13.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.849 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.462 ' HB2' HD12 ' A' ' 91' ' ' LEU . 45.4 mt -129.03 157.69 40.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -133.59 120.12 20.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.488 HG22 ' N ' ' A' ' 21' ' ' LEU . 3.3 p -154.59 157.27 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.184 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.6 HD23 ' O ' ' A' ' 22' ' ' GLU . 10.0 tt -112.53 142.04 45.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.6 ' O ' HD23 ' A' ' 21' ' ' LEU . 4.5 tm-20 -47.26 124.54 6.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 121.75 32.06 1.06 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.469 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -160.91 -143.65 3.74 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.512 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.404 ' C ' HD11 ' A' ' 70' ' ' LEU . . . -140.93 156.84 46.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.79 0.329 . . . . 0.0 111.102 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -112.08 131.86 55.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.074 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 94.2 m -117.61 96.17 5.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.518 HD13 HD23 ' A' ' 65' ' ' LEU . 5.0 mp -82.35 126.32 32.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.943 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.5 mmt180 -116.63 150.09 38.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -165.97 129.63 2.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.841 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.527 HG22 ' HG3' ' A' ' 62' ' ' MET . 46.1 t -110.24 133.23 56.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.126 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.551 HD13 ' CE2' ' A' ' 82' ' ' PHE . 3.6 mt -101.49 165.79 11.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.0 t -54.47 -20.08 6.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.5 t -171.61 148.26 2.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.594 ' N ' ' HB2' ' A' ' 61' ' ' ALA . 1.9 p -57.22 118.71 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.187 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.8 134.37 40.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.872 ' HB1' ' HA ' ' A' ' 38' ' ' PRO . . . -165.97 166.94 9.27 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.553 0.692 . . . . 0.0 111.112 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.872 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 53.7 Cg_endo -69.73 152.67 92.46 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.343 -0.037 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.0 m -100.84 175.59 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.151 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 65.8 tttt -123.66 126.39 46.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 30.5 m95 -119.27 105.11 11.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.97 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.414 ' HB3' HG23 ' A' ' 47' ' ' VAL . 23.7 p -129.43 146.94 51.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.401 ' O ' ' CG ' ' A' ' 43' ' ' TYR . 3.2 t80 -127.83 95.44 4.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 99.31 -102.02 2.49 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.468 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -111.77 -54.91 2.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.804 0.335 . . . . 0.0 110.854 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -74.12 167.96 20.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.414 HG23 ' HB3' ' A' ' 42' ' ' CYS . 6.7 p -107.16 139.51 28.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.156 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.4 mt -79.73 147.6 31.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 28.1 mtp85 -126.17 144.55 49.38 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.579 0.704 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.465 ' HB3' HD13 ' A' ' 56' ' ' LEU . 53.8 Cg_endo -69.73 153.7 68.73 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.644 2.23 . . . . 0.0 112.339 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 166.94 -142.19 7.42 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.507 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.79 -58.63 3.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.884 0.373 . . . . 0.0 110.86 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.0 tptp -51.16 -46.59 62.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -105.13 177.23 4.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.0 m -158.73 105.86 1.84 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.465 HD13 ' HB3' ' A' ' 50' ' ' PRO . 6.8 mp -102.2 118.86 37.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.878 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -132.12 120.89 22.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.444 ' OE1' ' HB2' ' A' ' 37' ' ' ALA . 52.4 tt0 -108.09 118.07 35.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.893 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -111.38 82.96 1.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 41.66 90.22 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.506 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.594 ' HB2' ' N ' ' A' ' 35' ' ' VAL . . . 58.98 52.77 6.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.822 0.344 . . . . 0.0 111.131 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.527 ' HG3' HG22 ' A' ' 31' ' ' VAL . 2.1 ttt -168.33 109.71 0.55 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -93.28 153.64 18.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -148.04 107.99 4.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.518 HD23 HD13 ' A' ' 28' ' ' LEU . 8.0 tp -107.37 112.5 25.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.938 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.4 t -100.39 126.9 53.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 97.1 t -117.41 106.9 20.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.132 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -79.14 155.86 28.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.463 ' O ' ' CD ' ' A' ' 71' ' ' ARG . 27.6 m-20 63.27 54.66 1.99 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.404 HD11 ' C ' ' A' ' 25' ' ' ALA . 17.8 mt -58.83 161.41 4.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.463 ' CD ' ' O ' ' A' ' 69' ' ' ASN . 0.0 OUTLIER -166.5 152.51 8.0 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.645 0.736 . . . . 0.0 110.868 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -13.05 34.19 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.732 2.288 . . . . 0.0 112.344 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -83.74 -8.54 59.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.922 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -89.95 -28.12 19.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 25.1 m -40.38 102.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -141.18 -133.66 2.95 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.552 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 53.8 ttp180 -129.13 106.53 8.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.798 0.333 . . . . 0.0 110.888 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -95.6 121.47 37.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.936 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 35.4 p -133.43 123.89 26.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 51.9 t -93.94 115.73 28.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 29.5 t -86.94 126.27 34.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.576 ' HZ ' HG21 ' A' ' 9' ' ' VAL . 6.6 t80 -161.34 138.96 9.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.849 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 61.18 -112.62 4.88 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.501 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 -122.86 -32.04 3.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.794 0.33 . . . . 0.0 110.859 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -81.43 159.49 24.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.8 m -138.99 124.41 19.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.15 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.1 t -97.91 159.73 14.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 52.9 p -151.74 132.79 14.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.82 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -142.5 172.87 12.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.113 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 28.7 m -133.35 143.24 48.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.462 HD12 ' HB2' ' A' ' 18' ' ' LEU . 54.5 tp -99.37 142.28 31.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 95.4 m -107.52 100.27 9.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.3 t -111.12 120.24 61.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.103 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 31.6 m -82.05 132.98 35.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.153 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.59 108.29 2.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.082 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.801 ' C ' HD12 ' A' ' 96' ' ' LEU . 0.4 OUTLIER -41.14 144.03 0.71 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.62 0.724 . . . . 0.0 110.918 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.53 ' N ' HD12 ' A' ' 96' ' ' LEU . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.173 0 C-N-CA 122.692 2.261 . . . . 0.0 112.376 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 36.6 t . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.848 0.356 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.7 mmt180 -86.39 163.53 17.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -97.25 87.97 4.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.9 tp60 -62.55 -56.74 15.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -127.69 67.59 1.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.53 179.35 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.7 mt -61.79 169.76 2.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.5 mtpt -152.17 135.83 16.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.944 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -39.23 121.8 1.19 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.6 mp -109.79 164.51 12.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -135.09 124.03 24.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.853 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.8 t -148.74 152.02 12.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.179 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.7 HD12 ' HB ' ' A' ' 94' ' ' THR . 6.7 tp -96.33 141.56 29.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.953 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -55.5 126.04 23.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 129.2 18.4 1.68 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.496 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -153.55 -140.94 3.16 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.447 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -137.44 158.23 44.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.787 0.327 . . . . 0.0 111.097 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -117.42 121.44 41.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.8 m -102.09 111.7 24.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.19 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.5 mp -100.88 116.93 33.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 44.1 mtm180 -113.44 156.03 24.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.0 p -165.97 137.04 3.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 87.2 t -112.19 137.71 43.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.1 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.461 HD11 HD21 ' A' ' 63' ' ' LEU . 34.0 mt -99.91 168.85 9.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.8 t -63.09 -26.74 68.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.9 p -156.71 -177.54 6.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 41.5 t -83.63 91.68 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.141 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -117.49 142.76 46.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.058 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.841 ' HB1' ' HA ' ' A' ' 38' ' ' PRO . . . -173.88 166.98 2.53 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.608 0.718 . . . . 0.0 111.092 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.841 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 53.9 Cg_endo -69.69 176.48 32.2 Favored 'Cis proline' 0 C--N 1.342 0.187 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.384 -0.074 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.503 HG22 ' N ' ' A' ' 40' ' ' LYS . 7.6 p -115.25 157.54 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.503 ' N ' HG22 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -116.59 118.17 31.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.877 179.907 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.616 ' CE3' HD22 ' A' ' 65' ' ' LEU . 23.3 m95 -104.29 111.41 24.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.0 t -110.17 136.6 49.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.637 ' HB3' HD21 ' A' ' 48' ' ' LEU . 9.9 t80 -150.7 114.43 4.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 69.1 -122.8 13.47 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.5 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 17.0 m-20 -118.44 50.33 1.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.869 0.366 . . . . 0.0 110.929 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -171.57 160.43 5.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 75.2 t -99.29 119.18 46.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.162 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.637 HD21 ' HB3' ' A' ' 43' ' ' TYR . 33.7 mt -64.17 131.04 46.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 64.4 mtt180 -131.06 151.65 79.3 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.6 0.714 . . . . 0.0 110.838 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 137.79 36.3 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.678 2.252 . . . . 0.0 112.336 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -175.51 -110.16 0.25 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.492 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -112.55 -47.43 3.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.859 0.361 . . . . 0.0 110.866 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.6 tptt -72.49 -46.15 56.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.442 ' CE1' HG22 ' A' ' 67' ' ' VAL . 40.4 m-85 -112.12 162.32 15.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.942 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.3 t -146.8 123.77 11.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -109.59 113.63 26.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.7 tpp180 -132.31 142.42 49.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -117.96 138.08 52.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -133.46 86.08 2.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 44.1 78.8 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.442 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 62.52 48.22 4.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.81 0.338 . . . . 0.0 111.075 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 4.4 tmm? -158.79 119.12 3.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.461 HD21 HD11 ' A' ' 32' ' ' LEU . 0.7 OUTLIER -100.17 159.38 15.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.926 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.494 ' OE1' HG23 ' A' ' 66' ' ' VAL . 0.7 OUTLIER -153.36 125.14 7.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.616 HD22 ' CE3' ' A' ' 41' ' ' TRP . 13.6 tp -120.56 107.25 12.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.494 HG23 ' OE1' ' A' ' 64' ' ' GLU . 24.3 t -83.3 143.36 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.132 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.442 HG22 ' CE1' ' A' ' 54' ' ' TYR . 60.8 t -134.56 106.02 7.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -94.69 154.73 17.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 67.86 51.74 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 11.6 mt -54.99 151.28 9.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 68.3 mtm180 -155.47 154.93 29.14 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.593 0.711 . . . . 0.0 110.854 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -15.12 37.02 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.688 2.259 . . . . 0.0 112.327 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -85.9 -4.82 59.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -86.22 -33.69 20.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 59.4 m -41.68 100.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -140.92 -131.37 2.7 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.461 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.414 ' HB2' ' NH1' ' A' ' 77' ' ' ARG . 6.3 ttm105 -129.55 105.19 7.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.859 0.361 . . . . 0.0 110.813 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.631 ' CE2' ' CE1' ' A' ' 43' ' ' TYR . 49.5 m-85 -97.03 138.06 35.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.1 p -156.93 151.74 25.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.805 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 2.1 t -124.72 114.2 18.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.873 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.7 t -83.49 132.4 34.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.832 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -155.77 115.83 3.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 66.02 -115.14 7.19 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.532 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 20.0 p-10 -110.51 -28.92 8.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.755 0.312 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 24.1 mm100 -94.64 144.01 25.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.917 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 53.9 m -142.3 137.16 30.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.169 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 9.0 t -104.38 155.36 18.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.159 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.5 m -146.41 120.94 9.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.839 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -127.25 172.37 10.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.095 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 28.0 m -126.71 150.58 48.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.129 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 22.3 tp -115.98 130.31 56.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 97.1 m -95.77 124.27 39.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 66.4 t -129.42 112.14 24.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.7 ' HB ' HD12 ' A' ' 21' ' ' LEU . 4.4 m -95.07 132.16 40.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.169 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.5 107.95 5.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.105 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.786 ' C ' HD12 ' A' ' 96' ' ' LEU . 0.4 OUTLIER -52.26 144.68 21.47 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.618 0.723 . . . . 0.0 110.897 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.548 ' N ' HD12 ' A' ' 96' ' ' LEU . 53.0 Cg_endo . . . . . 0 C--N 1.341 0.168 0 C-N-CA 122.628 2.219 . . . . 0.0 112.34 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.594 HG21 ' CZ ' ' A' ' 82' ' ' PHE . 3.4 t . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.819 0.342 . . . . 0.0 111.155 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.41 ' N ' HG12 ' A' ' 9' ' ' VAL . 4.7 ttt180 -133.48 144.81 49.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.736 ' HB3' ' HB2' ' A' ' 14' ' ' ALA . 10.8 m-85 -73.11 83.11 1.3 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 56.5 tp60 -56.64 -52.58 64.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 14' ' ' ALA . 5.8 tt0 -127.51 54.15 1.7 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.822 ' HB1' ' OG1' ' A' ' 87' ' ' THR . . . -44.09 169.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.082 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.619 HD22 ' HB3' ' A' ' 28' ' ' LEU . 43.3 mt -48.25 165.49 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -142.6 172.02 13.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -68.73 127.06 31.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.834 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.453 ' CD1' ' HG ' ' A' ' 28' ' ' LEU . 10.9 mt -126.95 159.2 34.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.933 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -136.44 134.85 38.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 21' ' ' LEU . 86.6 t -145.76 152.48 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.136 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.606 HD13 ' N ' ' A' ' 22' ' ' GLU . 0.3 OUTLIER -79.19 128.93 33.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.606 ' N ' HD13 ' A' ' 21' ' ' LEU . 17.6 tt0 -41.55 153.82 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.68 7.22 79.52 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.508 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.64 -146.7 9.97 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.482 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -137.89 151.66 48.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.826 0.346 . . . . 0.0 111.089 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -110.79 140.43 45.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.09 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.4 m -117.77 112.85 20.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.172 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.619 ' HB3' HD22 ' A' ' 15' ' ' LEU . 5.6 mp -115.5 127.09 55.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.951 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.5 ptt180 -141.17 132.06 25.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.814 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.832 ' SG ' HD23 ' A' ' 63' ' ' LEU . 6.5 p -120.99 -179.57 4.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.883 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 94.6 t -146.26 117.68 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.737 HD22 ' N ' ' A' ' 32' ' ' LEU . 1.1 mm? -86.18 158.25 19.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.9 t -58.92 -19.58 43.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.3 m -159.91 116.84 2.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.829 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.417 ' HB ' ' N ' ' A' ' 61' ' ' ALA . 1.9 p -38.73 134.59 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.113 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.636 ' HB3' ' CZ ' ' A' ' 82' ' ' PHE . . . -159.65 141.89 13.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.106 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.882 ' HB1' ' HA ' ' A' ' 38' ' ' PRO . . . -163.47 167.01 11.95 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.622 0.725 . . . . 0.0 111.091 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.882 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 53.8 Cg_endo -69.77 156.68 92.7 Favored 'Cis proline' 0 C--N 1.342 0.215 0 C-N-CA 122.645 -1.815 . . . . 0.0 112.348 -0.018 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.5 t -106.48 153.87 7.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.063 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.0 tttp -109.71 137.53 47.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.577 ' CD1' HD23 ' A' ' 56' ' ' LEU . 15.4 m95 -111.15 161.19 16.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.92 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.2 m -154.13 135.88 14.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.907 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.403 ' O ' ' N ' ' A' ' 45' ' ' ASN . 7.0 t80 -130.47 102.92 6.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.944 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 61.43 -81.14 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.474 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 43' ' ' TYR . 2.3 m-80 -128.6 -51.62 1.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.859 0.362 . . . . 0.0 110.882 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 31.3 m-20 -69.16 142.93 54.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 62.3 t -86.4 121.06 37.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 95.8 mt -66.85 137.79 56.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 38.5 mtt180 -138.72 150.26 65.13 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.632 0.729 . . . . 0.0 110.843 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 147.69 63.08 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.662 2.241 . . . . 0.0 112.321 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 176.93 -132.09 1.97 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.451 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -95.8 -39.98 9.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.83 0.348 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.7 mmmm -76.2 -47.9 22.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -99.45 176.52 5.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.92 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.9 t -162.78 116.79 1.71 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.577 HD23 ' CD1' ' A' ' 41' ' ' TRP . 6.8 mp -115.69 131.37 56.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.4 ttt180 -144.03 136.04 26.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.641 ' OE1' HD13 ' A' ' 63' ' ' LEU . 3.4 tp60 -107.67 128.95 55.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -131.7 88.24 2.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 38.73 85.02 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.474 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.417 ' N ' ' HB ' ' A' ' 35' ' ' VAL . . . 59.06 41.3 20.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.757 0.313 . . . . 0.0 111.069 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.764 ' C ' HD22 ' A' ' 63' ' ' LEU . 2.5 ttt -149.63 140.26 22.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.832 HD23 ' SG ' ' A' ' 30' ' ' CYS . 0.6 OUTLIER -122.92 161.22 24.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.909 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -152.34 107.31 3.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.503 HD22 ' CZ3' ' A' ' 41' ' ' TRP . 8.4 tp -110.8 110.88 21.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.944 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 83.4 t -98.18 120.49 47.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.102 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 42.5 t -115.68 123.35 70.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.157 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -102.75 167.95 9.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 44.1 m-20 58.48 43.95 18.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.46 ' O ' ' CG ' ' A' ' 71' ' ' ARG . 24.9 mt -51.58 174.87 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.46 ' CG ' ' O ' ' A' ' 70' ' ' LEU . 53.2 mtt85 -162.8 145.02 8.15 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.612 0.72 . . . . 0.0 110.889 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -3.1 11.36 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.613 2.209 . . . . 0.0 112.361 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 50.4 mm-40 -100.56 -23.41 14.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 75' ' ' SER . 0.6 OUTLIER -68.4 -30.96 69.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 74' ' ' ASP . 65.7 m -37.53 99.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.836 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -145.5 -137.29 3.09 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.466 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 52.2 ttp180 -128.01 113.67 16.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.777 0.322 . . . . 0.0 110.913 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -91.56 160.22 15.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.476 ' CB ' ' O ' ' A' ' 87' ' ' THR . 58.5 m -154.06 167.93 28.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.88 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 4.3 t -145.71 127.86 15.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 58.2 m -95.09 125.83 40.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.636 ' CZ ' ' HB3' ' A' ' 36' ' ' ALA . 11.6 t80 -164.13 135.54 4.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.865 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 49.28 42.06 32.3 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.471 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 62.45 26.27 15.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.801 0.334 . . . . 0.0 110.921 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -124.75 136.73 54.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 30.1 m -123.77 118.33 26.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.154 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.822 ' OG1' ' HB1' ' A' ' 14' ' ' ALA . 6.2 t -95.57 161.16 14.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.172 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 95.7 p -138.9 138.96 37.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.553 ' HB2' ' HB2' ' A' ' 15' ' ' LEU . . . -144.54 178.32 8.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.0 m -129.74 150.87 50.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.174 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 22.5 tp -135.14 109.51 8.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 30.3 m -91.47 121.66 33.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 99.8 t -119.79 114.93 45.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.1 m -82.25 132.88 35.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.19 132.95 44.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.061 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.5 HD12 ' OE2' ' A' ' 22' ' ' GLU . 47.0 mt -39.53 145.38 0.43 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.606 0.717 . . . . 0.0 110.91 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.178 0 C-N-CA 122.692 2.261 . . . . 0.0 112.335 179.901 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.0 t . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.829 0.347 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.2 mtt-85 -109.17 178.57 4.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.405 ' HB3' ' HB2' ' A' ' 14' ' ' ALA . 11.4 m-85 -108.01 87.09 2.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -65.3 -57.88 7.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.969 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -123.28 60.85 1.05 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.619 ' HB1' ' OG1' ' A' ' 87' ' ' THR . . . -51.68 -176.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.121 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 32.0 mt -69.14 157.68 36.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -138.7 167.31 22.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.887 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -58.46 140.19 54.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.3 mt -124.0 146.9 48.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -126.38 111.87 14.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.1 t -143.55 153.94 16.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.161 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.804 HD12 ' HB ' ' A' ' 94' ' ' THR . 5.6 tp -91.03 134.51 34.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.502 ' C ' ' CD ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER -45.21 165.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.914 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.88 18.17 79.53 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.529 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -132.97 -143.23 4.99 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.502 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.48 ' HB2' HH21 ' A' ' 68' ' ' ARG . . . -137.45 158.92 43.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.799 0.333 . . . . 0.0 111.122 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -124.93 119.21 28.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' THR . . . . . 0.613 HG23 ' OE2' ' A' ' 64' ' ' GLU . 22.6 m -111.82 100.38 8.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.138 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.6 mp -84.1 153.69 23.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.914 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 18.2 mtm180 -138.94 144.22 38.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.3 p -162.66 124.91 2.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 43.5 t -103.87 129.29 56.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.148 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 33' ' ' SER . 5.6 mt -88.89 134.82 33.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.955 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 32' ' ' LEU . 3.9 m -37.4 -39.76 0.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.813 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.2 m -133.22 172.4 12.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.866 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.732 HG22 ' HB2' ' A' ' 61' ' ' ALA . 37.4 t -91.98 110.67 23.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.156 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.463 ' HB3' ' CE2' ' A' ' 82' ' ' PHE . . . -140.25 145.63 37.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.865 ' HB1' ' HA ' ' A' ' 38' ' ' PRO . . . -170.4 166.98 4.81 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.553 0.692 . . . . 0.0 111.134 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.865 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 53.5 Cg_endo -69.74 169.75 61.76 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.724 -1.782 . . . . 0.0 112.325 -0.014 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.54 HG13 ' CD1' ' A' ' 82' ' ' PHE . 21.8 t -113.18 160.82 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.505 ' N ' HG12 ' A' ' 39' ' ' VAL . 28.1 tptt -108.76 144.2 36.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 31.0 m95 -128.81 102.85 6.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.938 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 16.7 p -116.4 131.09 57.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.589 ' CD1' ' CD1' ' A' ' 78' ' ' TYR . 5.1 t80 -135.8 113.79 11.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.75 -93.37 0.18 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.461 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 37.3 t-20 -127.94 -59.74 1.18 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.861 0.362 . . . . 0.0 110.943 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -65.17 141.34 58.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 13.2 t -85.73 134.06 28.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.8 mt -80.58 122.61 27.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -125.57 152.96 72.65 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.553 0.692 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 129.53 17.8 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.67 2.247 . . . . 0.0 112.336 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -161.86 -129.04 0.99 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.485 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -98.42 -44.27 6.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.907 0.384 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.589 ' HE2' ' CE1' ' A' ' 54' ' ' TYR . 0.3 OUTLIER -69.36 -59.63 2.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.589 ' CE1' ' HE2' ' A' ' 53' ' ' LYS . 23.1 m-85 -86.54 162.04 18.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.0 t -141.08 115.28 9.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -102.24 124.75 48.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 40.1 mtp85 -134.68 128.08 32.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -118.57 133.63 55.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -134.79 84.63 2.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 42.35 94.25 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.504 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.732 ' HB2' HG22 ' A' ' 35' ' ' VAL . . . 57.46 30.28 18.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.769 0.319 . . . . 0.0 111.091 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 2.6 ttp -135.7 143.42 45.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.935 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.44 HD21 HG21 ' A' ' 39' ' ' VAL . 5.6 mt -132.44 151.54 51.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.796 ' OE1' HG23 ' A' ' 66' ' ' VAL . 1.3 tm-20 -150.18 118.56 6.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.6 tp -113.39 119.56 38.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.796 HG23 ' OE1' ' A' ' 64' ' ' GLU . 97.9 t -102.78 130.1 53.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 6.7 t -118.4 116.74 52.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.104 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.48 HH21 ' HB2' ' A' ' 25' ' ' ALA . 0.6 OUTLIER -93.4 158.53 15.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.8 m120 62.3 54.68 2.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 12.4 mt -56.43 149.24 17.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 21.3 mtt180 -155.59 147.45 17.19 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.615 0.721 . . . . 0.0 110.864 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 -4.49 14.19 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.653 2.235 . . . . 0.0 112.319 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -98.09 -11.92 22.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 75' ' ' SER . 21.8 t0 -82.94 -31.42 27.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 74' ' ' ASP . 69.4 m -35.34 103.06 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -136.5 -145.8 5.08 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.477 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.405 ' HB3' ' NH1' ' A' ' 77' ' ' ARG . 10.2 ttp-105 -119.54 100.5 7.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.822 0.344 . . . . 0.0 110.84 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.589 ' CD1' ' CD1' ' A' ' 43' ' ' TYR . 70.6 m-85 -91.24 106.57 18.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 33.6 p -122.4 134.69 54.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.853 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 3.2 t -102.26 115.49 30.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.933 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 7.2 t -83.0 124.9 30.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.54 ' CD1' HG13 ' A' ' 39' ' ' VAL . 1.6 t80 -158.25 123.9 4.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.843 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 64.58 -132.04 37.91 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.464 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -99.79 -23.38 15.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.814 0.34 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -93.69 150.01 20.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 50.7 m -137.1 121.75 18.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.619 ' OG1' ' HB1' ' A' ' 14' ' ' ALA . 8.3 t -91.05 159.57 16.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.166 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.6 t -150.23 140.89 22.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -147.63 169.0 20.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.144 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 51.4 m -130.75 136.56 48.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.145 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.3 tp -102.75 130.91 49.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 88.2 m -96.94 125.85 41.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.111 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 58.7 t -123.26 111.5 29.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.804 ' HB ' HD12 ' A' ' 21' ' ' LEU . 29.5 m -83.11 130.94 35.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 96' ' ' LEU . . . -83.48 120.91 26.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.107 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.448 ' C ' ' O ' ' A' ' 95' ' ' ALA . 31.1 mt -34.68 150.19 0.08 OUTLIER Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.649 0.738 . . . . 0.0 110.866 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.181 0 C-N-CA 122.688 2.259 . . . . 0.0 112.355 179.834 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 37.6 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.843 0.354 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 67.3 mtt180 -113.89 177.49 4.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -108.9 79.3 1.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.7 tp60 -59.09 -50.74 72.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -133.31 68.03 1.51 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.66 -175.12 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.133 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.537 HD22 ' HB3' ' A' ' 28' ' ' LEU . 53.4 mt -54.79 168.33 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.949 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -149.27 174.07 12.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -71.23 114.68 9.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.5 mp -106.45 156.19 18.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.951 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -137.25 113.42 9.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.2 t -132.02 154.86 40.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.091 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.536 HD12 ' HB ' ' A' ' 94' ' ' THR . 5.8 tp -93.56 145.84 24.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.933 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -58.63 120.04 8.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 123.85 31.92 0.91 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.473 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -155.76 -144.4 3.91 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.518 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -135.05 155.2 51.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 0.0 111.097 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -113.23 120.56 41.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.083 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.2 m -110.72 109.48 19.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.158 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.66 HD13 HD23 ' A' ' 65' ' ' LEU . 5.4 mp -89.95 121.97 32.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 71.0 mtm180 -112.97 151.84 30.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 23.9 p -169.98 131.1 1.01 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 95.1 t -106.28 122.84 60.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.67 HD11 HD21 ' A' ' 63' ' ' LEU . 4.8 mt -87.35 146.99 25.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 83.2 p -45.92 -41.49 11.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.844 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.5 m -130.81 159.56 36.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.646 ' HA ' ' HB2' ' A' ' 61' ' ' ALA . 25.4 t -80.0 99.43 3.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.151 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -132.3 147.89 52.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.08 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.865 ' HB1' ' HA ' ' A' ' 38' ' ' PRO . . . -171.29 166.99 4.11 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.625 0.726 . . . . 0.0 111.06 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.865 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 53.9 Cg_endo -69.72 177.76 27.65 Favored 'Cis proline' 0 C--N 1.342 0.205 0 C-N-CA 122.713 -1.786 . . . . 0.0 112.337 -0.047 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.51 HG11 ' CD1' ' A' ' 63' ' ' LEU . 2.0 p -114.98 146.88 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.117 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.1 tttt -104.15 118.83 37.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.437 ' CD1' ' CD2' ' A' ' 56' ' ' LEU . 71.1 m95 -93.17 159.87 15.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.8 m -150.46 119.82 6.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.667 ' HB3' HD11 ' A' ' 48' ' ' LEU . 11.9 t80 -147.29 107.99 4.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 40.79 -96.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.506 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.409 ' N ' ' O ' ' A' ' 43' ' ' TYR . 12.2 p30 -47.44 169.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.831 0.348 . . . . 0.0 110.923 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -46.94 169.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.8 p -44.23 142.14 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.121 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.667 HD11 ' HB3' ' A' ' 43' ' ' TYR . 51.5 mt -89.28 151.05 22.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.475 ' HB3' ' CZ ' ' A' ' 49' ' ' ARG . 12.2 mtp-105 -132.2 146.42 61.56 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.588 0.708 . . . . 0.0 110.898 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 147.14 62.14 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.719 2.279 . . . . 0.0 112.376 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -175.45 -132.34 1.58 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.46 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -91.3 -50.84 5.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.894 0.378 . . . . 0.0 110.883 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.6 tptt -58.34 -61.27 2.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -89.31 173.45 8.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.943 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.0 m -152.43 112.55 4.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.437 ' CD2' ' CD1' ' A' ' 41' ' ' TRP . 5.5 mp -111.36 134.11 53.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -140.9 145.05 35.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 36.2 tp60 -125.55 132.64 52.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 60' ' ' GLY . 3.8 tm-20 -160.11 133.53 6.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.822 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 59' ' ' GLU . . . 34.35 62.45 0.5 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.502 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.646 ' HB2' ' HA ' ' A' ' 35' ' ' VAL . . . 47.8 47.88 17.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.816 0.341 . . . . 0.0 111.096 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -143.6 127.08 16.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.67 HD21 HD11 ' A' ' 32' ' ' LEU . 2.3 mm? -104.9 160.71 14.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.906 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -152.39 115.52 4.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.66 HD23 HD13 ' A' ' 28' ' ' LEU . 13.6 tp -115.98 119.04 34.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 69.2 t -102.21 147.41 8.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 65.2 t -136.31 106.49 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.089 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 20.3 mmm-85 -84.7 161.13 20.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 54.04 53.67 10.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 34.9 mt -55.63 -177.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.945 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -171.68 150.62 2.66 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.61 0.719 . . . . 0.0 110.888 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -2.93 10.98 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.651 2.234 . . . . 0.0 112.368 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -114.19 34.45 4.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -118.88 -21.91 7.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 44.8 m -56.9 99.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -130.06 -131.19 3.31 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.484 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 31.5 ttp180 -128.45 100.77 5.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.846 0.355 . . . . 0.0 110.889 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -89.09 138.58 31.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 9.7 t -141.91 150.06 41.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.818 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.3 t -127.23 113.59 16.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.9 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.9 t -84.01 129.24 34.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.413 ' HD1' HG23 ' A' ' 39' ' ' VAL . 4.7 t80 -153.28 120.13 5.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 52.93 -112.98 2.48 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.539 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -119.05 35.8 4.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.756 0.312 . . . . 0.0 110.874 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -135.65 150.03 49.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.946 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 24.6 m -141.99 117.08 10.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.131 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.8 t -106.88 152.18 24.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.167 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 52.4 p -140.25 140.19 35.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -141.75 174.57 10.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.089 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 33.9 m -133.33 141.42 47.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.133 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 54.2 tp -109.46 149.81 29.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 54.7 m -119.81 128.12 53.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.139 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 61.6 t -130.91 117.41 37.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.159 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.536 ' HB ' HD12 ' A' ' 21' ' ' LEU . 27.6 m -85.73 134.34 33.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.132 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.37 110.05 5.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.669 ' C ' HD12 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -52.75 145.4 21.96 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.609 0.719 . . . . 0.0 110.923 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.522 ' N ' HD12 ' A' ' 96' ' ' LEU . 53.6 Cg_endo . . . . . 0 C--N 1.342 0.191 0 C-N-CA 122.713 2.275 . . . . 0.0 112.295 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 92.8 t . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.806 0.336 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 79.1 mtt180 -100.8 150.0 23.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.696 ' HB3' ' HB2' ' A' ' 14' ' ' ALA . 11.0 m-85 -82.8 75.55 9.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -49.66 -50.37 43.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -131.55 65.41 1.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.827 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.696 ' HB2' ' HB3' ' A' ' 11' ' ' PHE . . . -59.21 -175.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.606 HD22 ' HB3' ' A' ' 28' ' ' LEU . 8.6 mt -63.82 -175.84 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -164.77 159.17 18.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -53.26 147.44 10.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.418 HD11 ' HG ' ' A' ' 28' ' ' LEU . 4.6 mt -135.87 138.75 42.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -112.67 115.82 29.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.499 ' CG1' HD11 ' A' ' 91' ' ' LEU . 1.0 OUTLIER -145.04 147.25 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.155 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.663 HD12 ' HB ' ' A' ' 94' ' ' THR . 9.4 tp -86.84 144.73 26.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.949 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -52.29 147.06 8.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.48 35.54 6.9 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.504 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -152.67 -147.19 4.54 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.508 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -139.57 156.53 46.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.786 0.327 . . . . 0.0 111.082 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -119.07 134.0 55.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.083 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.1 m -115.47 113.47 23.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.108 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.606 ' HB3' HD22 ' A' ' 15' ' ' LEU . 5.5 mp -96.97 134.61 40.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.8 mmm-85 -127.56 138.41 52.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.677 ' O ' HD23 ' A' ' 63' ' ' LEU . 29.5 p -156.03 125.4 6.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.475 HG13 ' O ' ' A' ' 61' ' ' ALA . 54.7 t -109.62 129.98 63.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.708 ' H ' HD22 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -93.4 170.97 9.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.8 t -58.44 -28.9 65.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.3 t -156.74 147.79 22.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.855 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.566 HG23 ' H ' ' A' ' 61' ' ' ALA . 7.0 p -65.29 108.14 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.165 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.61 ' HB3' ' CE1' ' A' ' 82' ' ' PHE . . . -128.08 106.66 9.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.081 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.865 ' HB1' ' HA ' ' A' ' 38' ' ' PRO . . . -125.26 167.0 17.55 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.607 0.717 . . . . 0.0 111.098 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.865 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 53.6 Cg_endo -69.74 170.59 57.61 Favored 'Cis proline' 0 C--N 1.342 0.214 0 C-N-CA 122.667 -1.805 . . . . 0.0 112.37 -0.037 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.575 HG13 ' CD2' ' A' ' 82' ' ' PHE . 2.6 t -110.5 154.69 12.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.15 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.55 115.51 27.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 38.9 m95 -99.03 148.79 23.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.925 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.3 p -158.78 131.95 7.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.765 ' CE1' ' CE2' ' A' ' 78' ' ' TYR . 1.8 t80 -138.43 105.92 5.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.895 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 83.68 -107.84 2.99 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.529 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -115.33 -54.09 2.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.843 0.354 . . . . 0.0 110.833 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -70.92 157.38 38.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 42.1 t -91.75 141.05 15.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.534 HD11 ' CB ' ' A' ' 43' ' ' TYR . 15.9 mt -86.37 122.77 30.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 80.5 mtm180 -117.41 149.19 44.27 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.595 0.712 . . . . 0.0 110.929 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.593 ' HD3' HD12 ' A' ' 56' ' ' LEU . 53.5 Cg_endo -69.84 143.33 50.09 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.691 2.261 . . . . 0.0 112.296 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 169.28 -141.95 7.02 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.492 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -84.15 -48.86 9.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.919 0.39 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.8 tptt -64.74 -45.5 86.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -119.73 150.33 40.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.97 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.9 t -125.62 134.65 51.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.593 HD12 ' HD3' ' A' ' 50' ' ' PRO . 70.0 mt -132.93 109.44 9.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -128.2 135.34 49.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.531 ' OE1' ' HB2' ' A' ' 37' ' ' ALA . 1.0 OUTLIER -116.43 145.78 43.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.911 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.498 ' O ' ' CB ' ' A' ' 62' ' ' MET . 6.6 mm-40 -151.09 105.3 3.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 59' ' ' GLU . . . 34.35 75.58 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.511 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.566 ' H ' HG23 ' A' ' 35' ' ' VAL . . . 59.97 41.75 17.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.764 0.316 . . . . 0.0 111.12 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.498 ' CB ' ' O ' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -130.77 129.87 43.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.695 HD21 HD21 ' A' ' 32' ' ' LEU . 3.1 mm? -111.24 148.94 31.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.482 ' OE1' HG23 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -156.27 112.04 2.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 179.928 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.3 tp -123.07 122.21 37.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.482 HG23 ' OE1' ' A' ' 64' ' ' GLU . 52.6 t -107.69 122.14 61.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.139 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 31.2 t -113.82 104.42 16.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 26.2 mtt-85 -77.85 168.21 20.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 15.5 m120 58.5 54.23 5.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 12.5 mt -62.06 125.37 23.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.7 mmt85 -122.51 154.15 62.78 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.619 0.723 . . . . 0.0 110.871 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 0.23 5.95 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.675 2.25 . . . . 0.0 112.333 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -101.73 -24.67 14.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.5 -36.14 82.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.6 m -43.22 98.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.834 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -144.12 -140.97 3.7 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.556 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 24.8 ttm-85 -117.77 100.91 7.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.844 0.354 . . . . 0.0 110.843 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.765 ' CE2' ' CE1' ' A' ' 43' ' ' TYR . 51.1 m-85 -91.66 131.43 37.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 95.0 p -136.96 149.3 47.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 4.0 t -128.22 130.15 47.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.849 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 50.3 m -83.51 122.81 29.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.848 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.61 ' CE1' ' HB3' ' A' ' 36' ' ' ALA . 5.3 t80 -145.02 122.1 11.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.881 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 60.56 -103.52 0.51 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.463 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -123.7 -34.19 3.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.767 0.318 . . . . 0.0 110.868 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -84.32 158.53 21.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 85.9 m -129.9 136.26 49.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.461 ' OG1' ' HB1' ' A' ' 14' ' ' ALA . 9.7 t -96.19 161.6 13.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.138 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.4 t -155.26 134.0 12.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -145.42 174.61 10.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.098 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 62.9 m -132.4 145.66 51.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.15 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.652 HD12 ' H ' ' A' ' 92' ' ' THR . 20.7 tp -111.99 146.25 38.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.652 ' H ' HD12 ' A' ' 91' ' ' LEU . 70.9 m -114.89 120.91 41.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.165 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 60.9 t -128.76 114.47 33.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.138 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.663 ' HB ' HD12 ' A' ' 21' ' ' LEU . 58.7 m -93.34 136.33 33.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.158 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.82 121.7 20.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.073 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 8.7 mt -47.47 149.55 1.96 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.625 0.726 . . . . 0.0 110.93 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo . . . . . 0 C--N 1.342 0.19 0 C-N-CA 122.667 2.245 . . . . 0.0 112.335 179.886 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.508 HG13 ' HB3' ' A' ' 33' ' ' SER . 6.2 t . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.876 0.37 . . . . 0.0 111.123 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 61.0 mtm-85 -93.43 173.32 7.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.634 ' HB3' ' HB2' ' A' ' 14' ' ' ALA . 8.0 m-85 -95.38 92.96 6.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -59.96 -56.46 21.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -128.13 56.1 1.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.848 ' HB1' ' OG1' ' A' ' 87' ' ' THR . . . -43.85 168.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.119 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.925 HD22 HD23 ' A' ' 28' ' ' LEU . 12.0 mt -45.45 152.63 0.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.3 mtpt -136.48 179.93 6.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.43 135.57 45.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.835 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.8 mt -127.68 152.63 47.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -132.73 118.62 19.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.5 t -138.16 153.83 27.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.17 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.581 HD13 ' N ' ' A' ' 22' ' ' GLU . 0.2 OUTLIER -80.62 129.81 34.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.912 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.581 ' N ' HD13 ' A' ' 21' ' ' LEU . 11.7 tt0 -46.82 157.59 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.41 ' N ' ' CG ' ' A' ' 22' ' ' GLU . . . 80.05 27.62 52.37 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.512 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -143.42 -142.48 3.97 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.472 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -133.95 153.96 51.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.795 0.331 . . . . 0.0 111.098 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -110.79 111.56 22.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.085 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 31.7 m -93.16 99.5 12.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.925 HD23 HD22 ' A' ' 15' ' ' LEU . 4.7 mp -83.69 146.0 28.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.934 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 60.1 mtt180 -140.73 152.83 45.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -166.14 126.74 1.74 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 48.6 t -103.16 138.13 28.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.096 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.43 HD23 ' CE2' ' A' ' 82' ' ' PHE . 4.3 mp -108.38 -177.86 3.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.508 ' HB3' HG13 ' A' ' 9' ' ' VAL . 7.9 t -67.38 -27.62 67.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.8 m -159.63 179.52 8.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.7 t -77.8 104.5 5.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.141 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.433 ' CB ' ' CZ ' ' A' ' 82' ' ' PHE . . . -126.62 136.08 52.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.114 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.879 ' HB1' ' HA ' ' A' ' 38' ' ' PRO . . . -174.74 166.96 2.12 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.501 0.667 . . . . 0.0 111.121 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.879 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 54.4 Cg_endo -69.75 166.94 72.75 Favored 'Cis proline' 0 C--O 1.231 0.157 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.399 -0.041 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.568 HG21 HD21 ' A' ' 63' ' ' LEU . 3.2 t -116.93 146.66 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.152 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 34.7 tttp -112.81 133.75 54.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.452 ' HB3' HD12 ' A' ' 48' ' ' LEU . 17.8 m95 -107.12 161.22 14.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 71.7 m -142.58 121.13 12.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.706 ' HB2' HD11 ' A' ' 48' ' ' LEU . 27.5 t80 -139.13 126.48 21.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 57.19 -102.86 0.24 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.474 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -126.84 -62.86 1.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.837 0.351 . . . . 0.0 110.858 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -62.55 99.9 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 39.2 t -41.22 138.66 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.082 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.706 HD11 ' HB2' ' A' ' 43' ' ' TYR . 31.0 mt -76.97 125.21 28.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.467 ' CZ ' ' HB2' ' A' ' 49' ' ' ARG . 22.6 mtm105 -136.36 153.8 76.59 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.642 0.734 . . . . 0.0 110.87 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 134.51 28.22 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.709 2.273 . . . . 0.0 112.336 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -166.07 -112.68 0.27 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.515 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -112.77 -42.47 3.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.863 0.363 . . . . 0.0 110.862 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.56 -55.41 24.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.455 ' CE1' HG13 ' A' ' 67' ' ' VAL . 2.6 m-85 -110.87 168.04 9.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.922 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.8 t -139.07 117.71 12.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.432 ' CD2' ' N ' ' A' ' 56' ' ' LEU . 0.7 OUTLIER -93.94 117.34 29.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.938 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -143.3 130.57 20.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -108.09 146.51 32.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -134.95 83.89 2.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 55.07 98.45 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.509 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 41.42 47.35 3.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.745 0.307 . . . . 0.0 111.096 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 2.6 tmm? -159.4 123.63 3.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.568 HD21 HG21 ' A' ' 39' ' ' VAL . 2.3 mm? -97.58 152.44 19.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -141.17 128.23 20.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.425 HD22 ' CE3' ' A' ' 41' ' ' TRP . 15.9 tp -125.07 113.16 17.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.916 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 89.8 t -94.95 133.24 36.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.174 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.455 HG13 ' CE1' ' A' ' 54' ' ' TYR . 75.5 t -130.96 108.7 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -86.81 176.09 7.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 44.3 m-20 54.92 44.94 27.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 11.9 mt -56.77 151.26 14.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 74.6 mtt180 -136.56 148.67 64.72 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.546 0.689 . . . . 0.0 110.938 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -8.71 24.31 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.652 2.235 . . . . 0.0 112.356 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -106.25 -26.88 11.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -59.01 -33.05 70.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 50.5 p -46.69 117.01 1.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -154.56 -125.34 0.98 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.537 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 58.9 ttp85 -129.64 119.07 22.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.786 0.327 . . . . 0.0 110.897 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -102.41 142.95 32.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 38.1 m -126.16 164.98 19.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 51.3 t -149.46 126.46 11.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.926 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.3 t -100.4 129.29 46.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.479 ' O ' ' N ' ' A' ' 85' ' ' GLN . 18.6 t80 -164.23 141.68 6.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 82' ' ' PHE . . . 35.74 50.34 1.08 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.446 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 57.67 39.69 27.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.735 0.302 . . . . 0.0 110.871 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.479 ' N ' ' O ' ' A' ' 82' ' ' PHE . 4.4 mm-40 -130.14 156.41 44.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 27.9 m -143.57 105.0 4.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.175 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.848 ' OG1' ' HB1' ' A' ' 14' ' ' ALA . 5.1 t -99.61 132.86 44.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.11 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -116.51 139.55 50.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.839 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -142.33 176.16 9.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.119 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.432 HG22 ' N ' ' A' ' 91' ' ' LEU . 19.5 m -126.63 156.74 40.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.192 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.432 ' N ' HG22 ' A' ' 90' ' ' THR . 60.6 tp -133.24 135.68 45.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.916 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 89.6 m -110.72 131.56 54.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.12 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 65.6 t -130.4 109.33 17.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 56.8 m -83.66 131.93 34.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.187 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.38 119.0 12.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.688 ' C ' HD12 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -65.68 145.64 99.03 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.572 0.701 . . . . 0.0 110.923 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.537 ' N ' HD12 ' A' ' 96' ' ' LEU . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.171 0 C-N-CA 122.717 2.278 . . . . 0.0 112.342 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 90.3 t . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.844 0.354 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -100.66 169.44 9.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.522 ' HB3' ' HB2' ' A' ' 14' ' ' ALA . 11.2 m-85 -100.53 79.34 2.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 43.7 tp60 -54.34 -59.94 4.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.872 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -125.01 65.83 1.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.522 ' HB2' ' HB3' ' A' ' 11' ' ' PHE . . . -60.21 178.32 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.109 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 24.2 mt -47.68 168.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.941 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.449 ' O ' HD23 ' A' ' 18' ' ' LEU . 8.1 mtmp? -154.19 147.02 24.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 16' ' ' LYS . 1.5 p-10 -35.12 138.17 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.909 HD12 HD13 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -145.78 145.42 30.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -135.74 133.52 38.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 66.4 t -146.29 151.72 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.168 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.718 HD12 ' HB ' ' A' ' 94' ' ' THR . 4.8 tp -77.95 135.59 37.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -51.44 154.43 1.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.88 -44.49 1.71 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.436 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -80.8 -143.2 3.44 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.488 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.785 ' HB2' ' HD3' ' A' ' 68' ' ' ARG . . . -135.83 160.84 37.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.825 0.345 . . . . 0.0 111.078 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -114.61 136.06 53.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.075 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 42.2 m -117.59 121.8 41.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.434 ' N ' HD12 ' A' ' 28' ' ' LEU . 5.4 mp -105.91 130.71 53.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.918 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 55.6 mtt180 -123.12 145.56 48.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 24.7 p -171.05 133.7 0.9 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.817 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.448 HG13 ' O ' ' A' ' 61' ' ' ALA . 92.8 t -106.17 131.03 56.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.134 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.422 HD11 HD21 ' A' ' 63' ' ' LEU . 8.5 mt -90.69 150.17 21.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.2 m -40.78 -46.59 2.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.4 m -142.92 173.17 11.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.594 HG22 ' HB2' ' A' ' 61' ' ' ALA . 15.1 t -87.15 106.67 16.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.122 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -129.91 19.74 5.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.08 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.852 ' HB1' ' HA ' ' A' ' 38' ' ' PRO . . . -59.55 166.98 2.71 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.573 0.701 . . . . 0.0 111.09 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.852 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 54.0 Cg_endo -69.77 179.69 21.62 Favored 'Cis proline' 0 C--N 1.342 0.201 0 C-N-CA 122.641 -1.816 . . . . 0.0 112.356 0.006 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.807 HG12 ' CE1' ' A' ' 82' ' ' PHE . 35.2 m -122.11 176.12 4.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.7 tttm -126.24 115.51 19.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 56.4 m95 -89.77 161.64 15.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.959 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 26.7 p -154.49 132.87 11.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.402 ' CD1' ' C ' ' A' ' 43' ' ' TYR . 1.0 OUTLIER -149.27 133.19 17.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.789 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 39.86 36.1 0.74 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.539 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 68.06 52.49 0.68 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.828 0.347 . . . . 0.0 110.925 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -151.97 161.17 43.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 48.9 t -100.96 122.7 53.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.1 mt -95.06 119.36 33.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.945 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -121.65 153.33 59.62 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.605 0.716 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 141.92 46.26 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.646 2.231 . . . . 0.0 112.327 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 176.32 -121.76 0.82 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.526 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -96.91 -60.77 1.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.881 0.372 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.0 tptt -63.07 -45.0 94.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -115.73 161.16 19.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.639 ' C ' HD12 ' A' ' 56' ' ' LEU . 1.8 m -143.67 138.27 28.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.878 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.639 HD12 ' C ' ' A' ' 55' ' ' SER . 6.6 mp -140.86 126.83 19.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 25.8 tpt180 -136.68 131.42 33.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -101.39 129.69 47.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -128.97 81.42 2.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 43.17 88.01 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.481 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.594 ' HB2' HG22 ' A' ' 35' ' ' VAL . . . 56.72 43.03 25.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.771 0.32 . . . . 0.0 111.118 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.42 ' C ' HD22 ' A' ' 63' ' ' LEU . 2.8 ttt -147.66 138.06 23.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.502 ' N ' HD22 ' A' ' 63' ' ' LEU . 2.9 mm? -117.37 155.82 28.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -156.84 108.82 2.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.1 tp -112.32 128.99 56.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 90.6 t -114.91 120.47 64.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.111 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.6 t -114.88 114.76 47.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.135 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.785 ' HD3' ' HB2' ' A' ' 25' ' ' ALA . 24.9 mmt85 -88.31 172.42 9.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 62.1 t30 58.22 53.88 6.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 19.2 mt -59.52 146.96 38.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.473 ' HB3' ' NE2' ' A' ' 73' ' ' GLN . 23.7 mmm-85 -146.28 144.39 21.19 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.604 0.716 . . . . 0.0 110.845 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -4.68 14.52 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.691 2.261 . . . . 0.0 112.306 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.473 ' NE2' ' HB3' ' A' ' 71' ' ' ARG . 2.2 pm0 -105.93 2.95 27.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.953 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -90.96 -30.77 16.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.926 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 67.5 m -39.14 100.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -133.9 -140.15 4.28 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.466 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 56.7 ttt180 -119.48 100.73 7.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.762 0.315 . . . . 0.0 110.88 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -93.78 106.29 18.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 27.0 p -114.15 156.94 23.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.8 t -127.65 118.36 23.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 19.7 m -88.13 123.02 32.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.807 ' CE1' HG12 ' A' ' 39' ' ' VAL . 3.6 t80 -154.54 110.7 3.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 73.88 -122.31 7.55 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.485 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.65 -39.63 6.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.748 0.309 . . . . 0.0 110.864 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -81.85 160.19 23.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 89.8 m -143.86 129.2 18.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.437 ' OG1' ' HB1' ' A' ' 14' ' ' ALA . 6.3 t -94.77 156.31 16.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 95.6 p -153.86 122.11 6.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.85 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -127.28 169.04 13.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.129 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 60.9 m -128.57 138.25 52.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.136 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.909 HD13 HD12 ' A' ' 18' ' ' LEU . 18.3 tp -108.37 131.5 54.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 59.3 m -100.23 112.54 24.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.152 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 92.9 t -101.08 122.61 53.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.718 ' HB ' HD12 ' A' ' 21' ' ' LEU . 6.2 m -92.52 125.27 37.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.159 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.09 121.48 19.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.1 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.65 ' C ' HD12 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -62.19 145.64 93.43 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.585 0.707 . . . . 0.0 110.927 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.513 ' N ' HD12 ' A' ' 96' ' ' LEU . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.174 0 C-N-CA 122.682 2.255 . . . . 0.0 112.347 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.934 HG11 ' HB2' ' A' ' 36' ' ' ALA . 8.9 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.802 0.334 . . . . 0.0 111.137 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 29.1 mtp180 -47.78 172.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.85 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.799 ' HB3' ' HB2' ' A' ' 14' ' ' ALA . 10.2 m-85 -88.87 71.02 8.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.847 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -45.89 -52.8 10.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -128.62 60.15 1.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.913 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.799 ' HB2' ' HB3' ' A' ' 11' ' ' PHE . . . -52.18 171.11 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.121 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.586 HD22 HD23 ' A' ' 28' ' ' LEU . 12.9 mt -54.49 159.39 2.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.3 pttt -141.65 160.41 40.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.7 116.09 1.64 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 80.0 mt -103.33 163.88 11.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.409 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 0.5 OUTLIER -135.16 142.34 46.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 179.909 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.559 HG11 ' CD1' ' A' ' 70' ' ' LEU . 94.4 t -157.76 160.13 2.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.705 HD12 ' HB ' ' A' ' 94' ' ' THR . 5.4 tp -111.16 133.74 53.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -40.85 124.43 2.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.87 21.65 7.36 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.528 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -139.43 -145.91 4.81 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.461 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -142.49 157.27 44.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.813 0.34 . . . . 0.0 111.101 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -112.88 118.07 33.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.2 m -102.32 108.89 20.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.122 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.586 HD23 HD22 ' A' ' 15' ' ' LEU . 5.1 mp -90.98 105.13 17.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.958 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -115.13 123.3 48.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 20.6 p -139.0 144.14 38.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 76.2 t -109.52 134.07 52.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.127 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 1.029 HD13 ' CE2' ' A' ' 82' ' ' PHE . 9.2 mt -100.79 160.05 14.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 45.0 t -65.3 -14.68 61.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.813 ' HB2' HG12 ' A' ' 9' ' ' VAL . 5.3 m -173.44 140.39 0.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.864 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.445 HG13 ' O ' ' A' ' 35' ' ' VAL . 2.8 p -66.61 106.58 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.934 ' HB2' HG11 ' A' ' 9' ' ' VAL . . . -115.67 20.09 14.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.096 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.883 ' HB1' ' HA ' ' A' ' 38' ' ' PRO . . . -45.05 167.04 0.12 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.538 0.685 . . . . 0.0 111.097 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.883 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 54.3 Cg_endo -69.73 174.24 41.26 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.375 -0.043 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.982 HG21 HD11 ' A' ' 63' ' ' LEU . 3.2 t -112.02 160.9 11.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.116 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.408 ' N ' HG12 ' A' ' 39' ' ' VAL . 22.4 tttt -128.68 104.33 7.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.429 ' CE3' HD22 ' A' ' 65' ' ' LEU . 45.4 m95 -86.98 117.15 25.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 19.2 m -116.55 118.79 33.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.781 ' HB3' HD11 ' A' ' 48' ' ' LEU . 44.5 t80 -142.68 110.47 5.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 43.44 -97.09 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.515 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -51.61 -179.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.828 0.347 . . . . 0.0 110.928 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 27.3 p30 -53.06 171.13 0.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 20.3 t -42.34 134.39 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.133 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.781 HD11 ' HB3' ' A' ' 43' ' ' TYR . 96.1 mt -77.17 108.97 10.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 48.9 mtt180 -98.73 149.03 35.35 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.552 0.691 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.451 ' HB3' HD23 ' A' ' 56' ' ' LEU . 53.5 Cg_endo -69.77 157.07 61.64 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.681 2.254 . . . . 0.0 112.329 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 173.25 -137.09 3.95 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.468 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -94.35 -2.93 51.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.869 0.366 . . . . 0.0 110.846 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.87 -55.25 2.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -96.32 152.72 18.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.95 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 45.2 t -124.84 102.33 7.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.516 HD22 ' N ' ' A' ' 56' ' ' LEU . 3.1 mm? -97.49 110.55 23.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.5 ttt85 -130.31 113.5 14.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.424 HE21 ' HB2' ' A' ' 37' ' ' ALA . 1.4 tm0? -108.03 135.53 49.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.955 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -134.17 79.92 1.83 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.42 ' N ' ' OE1' ' A' ' 58' ' ' GLN . . . 38.24 92.13 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.496 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 65.15 35.1 8.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.83 0.348 . . . . 0.0 111.124 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 3.2 tmm? -142.93 122.39 13.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.982 HD11 HG21 ' A' ' 39' ' ' VAL . 2.9 mm? -102.69 151.3 22.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.968 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -156.37 108.78 2.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.429 HD22 ' CE3' ' A' ' 41' ' ' TRP . 7.4 tp -126.81 110.29 12.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 20.6 t -96.43 140.28 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.145 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 40.0 t -131.01 106.01 11.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.154 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 76.3 mtt180 -85.91 171.26 11.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 57.11 53.97 7.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.559 ' CD1' HG11 ' A' ' 20' ' ' VAL . 10.9 mt -65.76 173.84 2.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.938 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -174.33 147.43 1.2 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.603 0.716 . . . . 0.0 110.877 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 -6.38 18.42 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.72 2.28 . . . . 0.0 112.4 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -86.38 -17.92 33.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 75' ' ' SER . 10.8 m-20 -90.28 -3.16 57.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 74' ' ' ASP . 40.4 m -36.71 106.98 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -167.15 -173.81 35.73 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.477 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.82 139.6 49.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.84 0.352 . . . . 0.0 110.836 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -105.18 127.46 52.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 37.3 t -112.11 136.07 51.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.874 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 40.4 t -115.7 121.55 42.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.6 p -85.87 140.94 29.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.846 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 1.029 ' CE2' HD13 ' A' ' 32' ' ' LEU . 2.1 t80 -164.44 107.26 0.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 71.94 -106.36 1.9 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.524 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -121.44 -28.39 4.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.766 0.317 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -89.68 154.6 19.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.943 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 27.8 m -142.84 147.11 34.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.205 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.543 ' CB ' ' HB1' ' A' ' 14' ' ' ALA . 11.3 t -128.9 145.86 51.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.149 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.0 p -137.53 142.15 41.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -138.19 142.82 40.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.07 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 26.5 m -85.54 146.55 26.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 23.8 tp -107.32 127.0 53.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 39.0 m -97.95 115.09 27.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.187 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 55.8 t -117.19 108.7 25.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.118 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.705 ' HB ' HD12 ' A' ' 21' ' ' LEU . 16.5 m -81.86 141.76 33.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.185 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -83.04 112.9 20.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.132 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.669 ' C ' HD12 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -51.99 145.6 17.15 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.6 0.714 . . . . 0.0 110.914 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.531 ' N ' HD12 ' A' ' 96' ' ' LEU . 53.3 Cg_endo . . . . . 0 C--N 1.341 0.17 0 C-N-CA 122.658 2.239 . . . . 0.0 112.311 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.424 ' CG1' ' HB3' ' A' ' 32' ' ' LEU . 85.1 t . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.773 0.32 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.3 mmm180 -78.34 133.62 37.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.462 ' HB3' ' HB2' ' A' ' 14' ' ' ALA . 10.4 m-85 -73.83 90.29 1.89 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 55.2 tp60 -63.17 -50.83 68.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.887 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -131.61 65.99 1.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.572 ' HB1' ' OG1' ' A' ' 87' ' ' THR . . . -58.47 171.48 0.6 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.11 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 47.7 mt -39.03 147.05 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.9 ptmm? -127.24 167.29 16.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -82.93 122.56 28.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.2 mp -113.82 168.31 9.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.906 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -136.1 112.46 9.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.7 t -130.0 149.49 33.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.139 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.702 HD12 ' HB ' ' A' ' 94' ' ' THR . 4.8 tp -82.56 149.21 27.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.916 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -54.46 145.62 17.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.72 18.66 69.9 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.467 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -118.06 -143.41 7.34 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.495 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -141.8 143.75 33.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.833 0.349 . . . . 0.0 111.093 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -111.3 124.82 53.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.126 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 99.9 m -112.29 103.23 11.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.4 mp -96.57 118.47 33.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.407 ' CB ' ' O ' ' A' ' 63' ' ' LEU . 4.7 ptt-85 -132.92 147.41 52.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.3 p -146.95 141.76 26.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.3 t -104.34 145.76 12.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.424 ' HB3' ' CG1' ' A' ' 9' ' ' VAL . 5.0 mp -118.07 153.32 33.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 67.8 p -49.84 -40.84 43.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.0 m -123.22 176.15 6.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.83 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 1.018 HG22 ' HB2' ' A' ' 61' ' ' ALA . 66.3 t -105.49 85.09 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.125 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.515 ' HB3' ' HE2' ' A' ' 82' ' ' PHE . . . -107.01 143.63 34.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.871 ' HB1' ' HA ' ' A' ' 38' ' ' PRO . . . -168.01 166.98 7.05 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.535 0.683 . . . . 0.0 111.11 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.871 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 53.5 Cg_endo -69.71 177.83 27.38 Favored 'Cis proline' 0 C--O 1.232 0.175 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.357 -0.074 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.2 m -115.73 172.34 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.136 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 35.4 tttt -122.6 119.59 31.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.666 ' CZ3' HD22 ' A' ' 65' ' ' LEU . 21.5 m95 -108.7 118.46 36.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.946 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.47 ' N ' HD12 ' A' ' 48' ' ' LEU . 16.6 p -139.58 152.26 46.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.409 ' HB2' HD11 ' A' ' 48' ' ' LEU . 10.1 t80 -133.69 104.82 6.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.64 -90.31 0.55 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.459 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -119.64 -58.41 1.9 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.76 0.314 . . . . 0.0 110.864 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -63.78 140.8 58.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.8 t -82.82 143.16 12.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.47 HD12 ' N ' ' A' ' 42' ' ' CYS . 5.8 mt -89.31 134.58 34.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 54.9 mtp180 -136.42 145.35 51.29 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.62 0.724 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 144.1 53.02 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.696 2.264 . . . . 0.0 112.352 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -173.44 -125.75 0.86 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.448 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -98.96 -54.29 3.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.92 0.391 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.6 tmtm? -64.11 -25.54 68.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.624 ' CD2' HD11 ' A' ' 65' ' ' LEU . 2.8 m-85 -120.36 -179.48 3.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.8 t -167.26 106.97 0.59 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.88 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.404 HD23 ' CD1' ' A' ' 41' ' ' TRP . 5.6 mp -108.66 131.67 54.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.419 ' HG3' ' N ' ' A' ' 58' ' ' GLN . 7.0 tpp85 -141.45 146.69 36.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.578 HE22 ' HB2' ' A' ' 37' ' ' ALA . 31.7 tt0 -115.06 121.06 41.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.919 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -119.35 80.11 1.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.857 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 46.58 93.87 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.53 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 1.018 ' HB2' HG22 ' A' ' 35' ' ' VAL . . . 49.91 36.52 11.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.779 0.323 . . . . 0.0 111.093 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 4.0 ttp -143.26 118.74 10.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.407 ' O ' ' CB ' ' A' ' 29' ' ' ARG . 2.8 mm? -94.32 158.69 15.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.959 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -153.22 124.55 7.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.666 HD22 ' CZ3' ' A' ' 41' ' ' TRP . 50.5 tp -125.81 106.99 10.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.7 t -92.21 131.77 38.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.142 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 97.8 t -129.97 114.99 31.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.155 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -91.45 172.81 8.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.7 t30 53.5 51.79 14.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 13.0 mt -60.98 142.84 56.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 -139.96 152.49 67.89 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.6 0.714 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -6.44 18.63 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.663 2.242 . . . . 0.0 112.351 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -97.89 -22.79 16.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.932 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 75' ' ' SER . 0.9 OUTLIER -70.22 -36.47 74.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 74' ' ' ASP . 47.2 m -36.98 132.63 0.67 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -170.01 -138.94 2.61 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.463 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 65.1 ttp85 -127.67 116.97 21.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.799 0.333 . . . . 0.0 110.924 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -89.2 160.11 17.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.935 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 84.0 p -161.12 151.87 18.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 47.6 t -136.99 134.47 36.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 72.7 m -109.08 117.57 34.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.812 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.565 ' CE1' ' O ' ' A' ' 38' ' ' PRO . 7.5 t80 -164.3 142.25 6.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 57.11 31.79 62.28 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.524 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 66.53 26.18 9.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.802 0.334 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -117.03 159.3 22.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 31.3 m -143.55 109.91 5.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.176 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.572 ' OG1' ' HB1' ' A' ' 14' ' ' ALA . 9.8 t -100.59 159.46 15.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.122 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 98.7 p -143.73 131.79 21.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -138.29 176.19 8.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.12 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 4.5 m -131.12 156.26 45.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.155 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 48.1 tp -128.79 142.54 50.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 62.1 m -117.78 132.67 56.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.151 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 89.0 t -129.81 123.2 56.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.148 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.702 ' HB ' HD12 ' A' ' 21' ' ' LEU . 25.1 m -88.04 129.13 35.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.128 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.38 120.28 17.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.084 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.629 ' C ' HD12 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -75.02 146.41 82.39 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.569 0.7 . . . . 0.0 110.91 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.521 ' N ' HD12 ' A' ' 96' ' ' LEU . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.164 0 C-N-CA 122.713 2.275 . . . . 0.0 112.312 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.635 HG13 ' HB3' ' A' ' 33' ' ' SER . 85.9 t . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.807 0.336 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 69.3 mtt-85 -101.84 163.47 12.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.417 ' HB3' ' HB2' ' A' ' 14' ' ' ALA . 10.6 m-85 -74.02 93.78 2.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.37 -62.05 1.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -118.59 57.05 0.87 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.418 ' HB1' ' OG1' ' A' ' 87' ' ' THR . . . -48.55 177.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.3 mt -58.57 178.7 0.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -155.49 160.07 40.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -63.67 129.98 42.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.836 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.52 ' HB2' HD12 ' A' ' 91' ' ' LEU . 9.7 mt -123.11 137.01 55.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -112.68 110.37 20.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 44.1 t -137.1 149.81 26.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.09 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.649 HD23 ' N ' ' A' ' 22' ' ' GLU . 2.3 tt -75.62 152.03 37.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.649 ' N ' HD23 ' A' ' 21' ' ' LEU . 4.8 pt-20 -61.73 179.57 0.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 52.16 44.89 57.59 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.513 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -151.36 -143.24 3.67 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.8 -0.715 . . . . 0.0 112.515 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -139.49 137.46 35.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.777 0.322 . . . . 0.0 111.093 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.688 ' HB2' HD11 ' A' ' 70' ' ' LEU . . . -113.76 113.34 24.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.114 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 46.1 m -105.58 120.73 42.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.165 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.541 HD13 HD23 ' A' ' 65' ' ' LEU . 6.7 mp -99.19 164.79 12.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 42.5 mtm180 -151.99 151.6 31.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 14.6 p -173.83 128.05 0.39 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 93.8 t -104.19 141.39 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.772 HD22 ' N ' ' A' ' 32' ' ' LEU . 0.7 OUTLIER -92.82 155.19 17.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.635 ' HB3' HG13 ' A' ' 9' ' ' VAL . 45.4 t -45.0 -24.72 0.25 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 t -158.12 152.24 24.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.763 ' HA ' ' HB2' ' A' ' 61' ' ' ALA . 39.0 t -53.14 107.34 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.12 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.96 136.6 37.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.13 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.852 ' HB1' ' HA ' ' A' ' 38' ' ' PRO . . . -173.87 166.92 2.54 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.599 0.714 . . . . 0.0 111.121 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.852 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 54.3 Cg_endo -69.71 176.33 32.88 Favored 'Cis proline' 0 C--N 1.341 0.184 0 C-N-CA 122.724 -1.782 . . . . 0.0 112.326 -0.016 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.57 HG21 HD11 ' A' ' 63' ' ' LEU . 40.4 t -117.11 150.0 19.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -104.56 138.36 41.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.474 ' CZ3' HD22 ' A' ' 65' ' ' LEU . 35.4 m95 -114.09 107.59 15.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.942 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 15.7 p -118.66 124.78 48.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -132.14 95.62 3.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 81.78 -162.16 42.81 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.504 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -48.48 -65.92 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.838 0.352 . . . . 0.0 110.92 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -71.26 170.11 13.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.4 p -118.07 145.44 23.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.174 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 30.1 mt -84.77 151.01 24.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.954 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 52.3 mtp180 -140.66 147.83 50.48 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.597 0.713 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.766 ' HD3' HD12 ' A' ' 56' ' ' LEU . 53.8 Cg_endo -69.76 134.53 28.22 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.7 2.266 . . . . 0.0 112.304 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -176.12 -128.22 1.1 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.5 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -89.19 -49.66 6.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.902 0.382 . . . . 0.0 110.85 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -62.27 -59.24 5.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -106.53 161.8 14.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.952 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.8 m -136.77 110.93 8.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.766 HD12 ' HD3' ' A' ' 50' ' ' PRO . 9.4 mt -113.99 114.66 26.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.962 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.479 ' HB3' ' CZ ' ' A' ' 57' ' ' ARG . 4.9 ptp180 -139.06 124.59 19.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 4.9 tm0? -98.52 144.24 28.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 60' ' ' GLY . 64.3 mt-10 -157.25 129.55 7.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.94 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 59' ' ' GLU . . . 34.78 60.85 0.63 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.439 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.763 ' HB2' ' HA ' ' A' ' 35' ' ' VAL . . . 52.65 47.18 25.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.798 0.332 . . . . 0.0 111.079 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 12.4 tpp -144.36 126.95 16.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.57 HD11 HG21 ' A' ' 39' ' ' VAL . 2.6 mm? -98.93 161.53 13.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -155.49 113.68 3.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.541 HD23 HD13 ' A' ' 28' ' ' LEU . 8.7 tp -116.98 106.75 13.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 82.2 t -94.01 122.47 45.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 85.7 t -116.32 104.68 17.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.146 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 -82.0 162.83 22.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.843 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.41 ' O ' ' NH2' ' A' ' 71' ' ' ARG . 5.0 t-20 54.09 53.66 10.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.688 HD11 ' HB2' ' A' ' 26' ' ' ALA . 20.4 mt -62.58 156.25 23.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.913 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.41 ' NH2' ' O ' ' A' ' 69' ' ' ASN . 4.0 ptp85 -155.07 151.3 22.67 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.647 0.737 . . . . 0.0 110.859 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -19.72 35.56 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.723 2.282 . . . . 0.0 112.324 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -83.14 -1.33 52.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.926 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -99.44 -23.46 15.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.2 m -41.65 103.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.823 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -141.93 -150.33 5.34 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.493 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -116.4 106.23 13.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.843 0.354 . . . . 0.0 110.846 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -92.31 125.35 36.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 68.8 p -122.18 155.87 34.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.863 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 39.2 t -130.89 127.5 38.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.873 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 13.8 t -85.89 122.47 30.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.407 ' CE1' ' HG ' ' A' ' 32' ' ' LEU . 78.0 t80 -131.2 91.66 3.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.86 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 64.95 -94.08 0.17 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.492 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.78 -37.26 4.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.807 0.337 . . . . 0.0 110.908 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -84.58 151.19 24.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 88.4 m -138.28 131.43 30.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.171 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.418 ' OG1' ' HB1' ' A' ' 14' ' ' ALA . 14.9 t -102.94 157.89 16.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.101 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 89.0 p -150.21 128.94 12.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.837 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.98 167.53 18.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.099 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 35.5 m -117.87 131.21 56.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.157 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.52 HD12 ' HB2' ' A' ' 18' ' ' LEU . 15.9 tp -101.3 128.42 47.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 98.3 m -98.93 127.63 44.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.158 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 86.2 t -126.61 127.91 70.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 28.6 m -100.51 129.91 46.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.164 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.83 126.52 31.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.125 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.638 ' C ' HD12 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -64.32 147.09 97.47 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.613 0.72 . . . . 0.0 110.905 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.544 ' N ' HD12 ' A' ' 96' ' ' LEU . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.181 0 C-N-CA 122.674 2.249 . . . . 0.0 112.329 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.515 HG11 ' HE1' ' A' ' 82' ' ' PHE . 26.8 t . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.814 0.34 . . . . 0.0 111.112 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.3 mtt-85 -112.95 161.75 16.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.782 ' HB3' ' HB2' ' A' ' 14' ' ' ALA . 10.6 m-85 -89.7 100.45 13.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.881 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -60.63 -52.02 66.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.934 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 14' ' ' ALA . 18.6 tp10 -131.27 46.44 2.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.813 ' HB1' ' OG1' ' A' ' 87' ' ' THR . . . -34.36 151.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.103 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.574 HD22 ' HB3' ' A' ' 28' ' ' LEU . 10.9 mt -48.46 153.41 0.76 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.3 mtpt -135.26 -179.01 5.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -61.1 147.12 44.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.849 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.4 mt -142.72 158.69 43.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.956 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -135.87 128.67 31.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.488 HG22 HD11 ' A' ' 91' ' ' LEU . 9.5 m -147.39 166.7 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.099 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.56 HD23 ' N ' ' A' ' 22' ' ' GLU . 2.7 tt -100.36 149.2 23.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.56 ' N ' HD23 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -57.24 166.7 1.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.26 19.22 45.54 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.468 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -120.54 -148.74 8.12 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.466 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.653 ' HB2' ' HD3' ' A' ' 68' ' ' ARG . . . -140.45 143.23 35.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.85 0.357 . . . . 0.0 111.06 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.57 ' HB2' HD11 ' A' ' 70' ' ' LEU . . . -110.97 134.92 52.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 82.1 m -116.12 98.55 6.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.175 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.574 ' HB3' HD22 ' A' ' 15' ' ' LEU . 5.5 mp -95.9 107.81 20.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.3 ptt-85 -117.11 158.69 23.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.694 ' SG ' HD12 ' A' ' 63' ' ' LEU . 26.5 p -162.06 149.27 14.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 68.0 t -106.84 134.87 47.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.106 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.632 HD22 ' CD1' ' A' ' 82' ' ' PHE . 8.3 mt -100.75 155.22 18.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.956 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.9 t -70.76 -35.44 72.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.3 t -129.39 157.0 43.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.845 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 17.6 t -86.03 95.71 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.116 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.871 ' HB3' ' CZ ' ' A' ' 82' ' ' PHE . . . -122.57 150.99 41.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.134 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.849 ' HB1' ' HA ' ' A' ' 38' ' ' PRO . . . -168.86 167.02 6.14 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.618 0.723 . . . . 0.0 111.088 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.849 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 53.3 Cg_endo -69.76 175.01 38.25 Favored 'Cis proline' 0 C--N 1.342 0.219 0 C-N-CA 122.65 -1.813 . . . . 0.0 112.361 -0.04 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.598 HG21 HD21 ' A' ' 63' ' ' LEU . 9.2 t -108.07 140.11 27.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.075 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.2 tttp -107.83 138.19 44.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.715 ' CE3' HD22 ' A' ' 65' ' ' LEU . 28.1 m95 -120.08 111.06 17.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.3 p -106.3 153.26 22.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.4 ' O ' ' C ' ' A' ' 44' ' ' GLY . 19.2 t80 -133.51 147.16 51.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.937 -179.776 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 43' ' ' TYR . . . -38.1 -49.68 2.13 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.476 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -66.48 -72.49 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.871 0.367 . . . . 0.0 110.915 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.461 ' CG ' ' N ' ' A' ' 47' ' ' VAL . 1.1 t-20 -150.68 165.17 34.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.461 ' N ' ' CG ' ' A' ' 46' ' ' ASN . 11.5 p -50.53 151.43 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.097 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.0 mt -106.42 148.9 27.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 60.1 mtm180 -132.1 146.08 60.13 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.569 0.699 . . . . 0.0 110.878 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.833 ' HB3' HD13 ' A' ' 56' ' ' LEU . 53.7 Cg_endo -69.78 145.81 58.15 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.699 2.266 . . . . 0.0 112.31 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 174.54 -115.07 0.53 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.458 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -105.88 -62.18 1.4 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.89 0.376 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.65 -37.85 13.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.479 ' HB3' HD11 ' A' ' 65' ' ' LEU . 5.1 m-85 -122.65 164.77 17.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.942 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.1 t -143.1 119.06 10.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.833 HD13 ' HB3' ' A' ' 50' ' ' PRO . 4.2 mp -113.83 127.23 55.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.952 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 16.5 ttm180 -148.22 122.15 9.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -100.2 125.16 46.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.932 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -128.57 82.45 2.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 61' ' ' ALA . . . 52.13 101.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.466 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 60' ' ' GLY . . . 37.17 42.43 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.75 0.31 . . . . 0.0 111.085 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.7 ttp -147.26 139.15 24.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.694 HD12 ' SG ' ' A' ' 30' ' ' CYS . 5.8 mt -132.3 152.16 51.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -154.78 113.41 3.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.715 HD22 ' CE3' ' A' ' 41' ' ' TRP . 36.6 tp -108.39 125.76 52.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.3 t -110.48 130.72 63.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.2 t -124.64 107.2 17.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.653 ' HD3' ' HB2' ' A' ' 25' ' ' ALA . 27.8 mmt180 -86.9 170.57 11.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.5 m120 54.05 49.39 18.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.57 HD11 ' HB2' ' A' ' 26' ' ' ALA . 16.2 mt -65.18 172.55 2.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.935 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.6 mtp180 -162.35 157.72 19.62 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.598 0.713 . . . . 0.0 110.893 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -1.86 9.19 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.702 2.268 . . . . 0.0 112.337 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 17.2 mm100 -105.72 -37.88 6.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 75' ' ' SER . 0.8 OUTLIER -55.21 -41.16 71.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.805 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 74' ' ' ASP . 21.4 p -37.45 113.15 0.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.731 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -143.9 -124.94 1.85 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.514 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -129.85 108.56 10.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.817 0.341 . . . . 0.0 110.86 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -87.17 130.45 34.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.2 m -142.63 157.01 45.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.85 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 9.8 t -141.58 130.24 22.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 50.4 m -89.02 107.01 18.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.871 ' CZ ' ' HB3' ' A' ' 36' ' ' ALA . 49.1 t80 -134.61 95.24 3.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 85.37 -141.38 18.97 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.494 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -85.45 -39.68 17.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.798 0.333 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -88.8 138.59 31.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 18.9 m -117.61 132.31 56.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.813 ' OG1' ' HB1' ' A' ' 14' ' ' ALA . 14.0 t -90.28 157.86 17.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 94.9 p -153.79 125.76 7.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -130.55 175.83 8.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.097 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 47.6 m -134.67 145.22 48.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.488 HD11 HG22 ' A' ' 20' ' ' VAL . 10.2 tp -122.12 138.38 54.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 46.3 m -107.14 126.62 52.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 57.5 t -114.59 117.97 57.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.091 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 88.1 m -89.55 147.2 24.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.155 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -87.94 113.18 23.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.14 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.681 ' C ' HD12 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -50.98 144.9 12.95 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.677 0.751 . . . . 0.0 110.911 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.511 ' N ' HD12 ' A' ' 96' ' ' LEU . 54.1 Cg_endo . . . . . 0 C--N 1.342 0.231 0 C-N-CA 122.644 2.229 . . . . 0.0 112.395 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 87.9 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.841 0.353 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -117.5 143.3 46.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.587 ' HB3' ' HB2' ' A' ' 14' ' ' ALA . 8.8 m-85 -63.87 80.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.0 tp60 -48.87 -54.18 16.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -132.74 58.29 1.77 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.587 ' HB2' ' HB3' ' A' ' 11' ' ' PHE . . . -40.83 160.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.099 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.541 HD12 HG23 ' A' ' 87' ' ' THR . 6.1 mt -52.52 -176.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 17' ' ' ASP . 1.9 pptp? -169.23 142.52 2.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.795 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 16' ' ' LYS . 0.4 OUTLIER -37.22 141.32 0.15 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 179.88 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 mp -123.13 156.31 35.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -126.36 110.93 13.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 73.5 t -133.7 151.89 33.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.165 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.715 HD12 ' HB ' ' A' ' 94' ' ' THR . 12.1 tp -91.92 142.95 26.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -47.64 149.05 1.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.13 11.04 79.41 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.459 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -118.98 -147.67 8.19 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.463 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -140.57 152.89 45.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.831 0.348 . . . . 0.0 111.096 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -113.91 124.64 52.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.086 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 94.5 m -116.54 136.91 52.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.117 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.785 HD21 ' CE2' ' A' ' 78' ' ' TYR . 7.2 mp -104.85 134.87 47.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 32.3 mtm180 -134.68 127.87 31.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.541 ' SG ' HD23 ' A' ' 63' ' ' LEU . 23.2 p -158.3 131.35 7.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 69.1 t -104.74 137.32 34.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.123 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.401 HD11 HD21 ' A' ' 63' ' ' LEU . 8.1 mt -105.23 160.74 14.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 42.3 t -47.65 -41.35 22.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.6 m -149.1 142.13 24.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.427 ' HB ' ' N ' ' A' ' 61' ' ' ALA . 2.4 p -53.11 136.62 14.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.161 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -158.26 151.17 22.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.849 ' HB1' ' HA ' ' A' ' 38' ' ' PRO . . . -174.68 166.96 2.15 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.625 0.726 . . . . 0.0 111.114 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.849 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 53.9 Cg_endo -69.72 168.32 67.76 Favored 'Cis proline' 0 C--N 1.342 0.215 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.352 -0.035 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.821 HG21 HD11 ' A' ' 63' ' ' LEU . 12.6 t -112.83 152.27 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.163 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.0 tptm -109.14 130.26 55.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.753 ' HZ3' HD22 ' A' ' 28' ' ' LEU . 38.7 m95 -109.77 161.09 15.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.903 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.8 m -149.43 133.76 17.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.553 ' HB2' HD11 ' A' ' 48' ' ' LEU . 0.5 OUTLIER -150.85 132.46 14.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.951 -179.789 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.523 ' O ' ' ND2' ' A' ' 46' ' ' ASN . . . 34.54 59.87 0.65 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.5 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 60.0 t30 52.83 48.33 22.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.873 0.368 . . . . 0.0 110.906 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.523 ' ND2' ' O ' ' A' ' 44' ' ' GLY . 53.8 m-80 -158.05 -176.4 5.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.2 p -115.71 135.5 55.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.089 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.567 HD13 HD21 ' A' ' 65' ' ' LEU . 70.5 mt -96.17 91.32 5.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 62.0 mtm180 -101.19 155.17 36.65 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.622 0.725 . . . . 0.0 110.886 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.498 ' CD ' HD13 ' A' ' 56' ' ' LEU . 53.8 Cg_endo -69.75 161.22 46.79 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.706 2.271 . . . . 0.0 112.309 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 162.76 -137.98 5.11 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.524 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -87.35 -33.71 19.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.871 0.367 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.3 tptm -88.83 -39.2 14.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.943 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -118.97 173.84 6.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.948 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.722 ' C ' HD12 ' A' ' 56' ' ' LEU . 2.2 m -157.3 144.63 18.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.821 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.722 HD12 ' C ' ' A' ' 55' ' ' SER . 8.6 mp -134.27 134.59 42.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.952 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 39.8 mtt180 -145.44 118.98 9.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -91.49 130.21 37.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 60' ' ' GLY . 17.5 tt0 -127.59 81.37 2.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 59' ' ' GLU . . . 35.46 88.62 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.455 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.427 ' N ' ' HB ' ' A' ' 35' ' ' VAL . . . 59.69 50.79 6.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.782 0.325 . . . . 0.0 111.091 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 4.7 ttt -163.06 115.81 1.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.821 HD11 HG21 ' A' ' 39' ' ' VAL . 2.5 mm? -88.08 159.44 18.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -155.7 116.01 3.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.647 HD22 ' CZ3' ' A' ' 41' ' ' TRP . 24.7 tp -126.1 104.62 8.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.954 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 55.7 t -86.59 129.47 38.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.145 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 15.7 t -119.71 117.21 53.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.136 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 86.6 mtt180 -105.64 164.41 11.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.9 m120 66.97 49.6 1.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.566 ' CD2' HD21 ' A' ' 91' ' ' LEU . 12.7 mt -58.95 160.12 6.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.451 ' CG ' ' O ' ' A' ' 70' ' ' LEU . 15.3 mtm105 -161.13 152.76 16.18 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.607 0.718 . . . . 0.0 110.889 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -6.35 18.38 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.663 2.242 . . . . 0.0 112.347 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -107.4 -19.92 13.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.943 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -74.68 -25.71 59.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 67.3 m -49.61 105.33 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -138.05 -148.51 5.37 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.474 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 24.7 ttm180 -130.57 118.06 20.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.822 0.344 . . . . 0.0 110.837 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.785 ' CE2' HD21 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -122.24 135.25 54.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 -179.873 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 69.4 p -129.28 146.72 51.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.574 ' O ' HG23 ' A' ' 86' ' ' THR . 2.7 t -99.87 129.02 45.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.854 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 51.8 p -101.04 117.33 34.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -143.83 121.0 11.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 67.16 -108.87 2.61 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.469 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -117.81 -33.47 4.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.749 0.309 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.4 ' CD ' ' H ' ' A' ' 85' ' ' GLN . 0.4 OUTLIER -85.75 154.46 21.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.894 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.574 HG23 ' O ' ' A' ' 80' ' ' CYS . 95.2 m -144.92 134.37 23.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.165 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.541 HG23 HD12 ' A' ' 15' ' ' LEU . 10.8 t -108.82 136.93 47.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.205 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.9 t -120.82 138.21 54.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.864 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -132.18 170.9 14.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.087 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 75.8 m -131.28 147.87 52.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.566 HD21 ' CD2' ' A' ' 70' ' ' LEU . 32.4 tp -106.67 138.09 43.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 91.7 m -120.77 111.77 18.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.147 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.405 HG21 HD22 ' A' ' 70' ' ' LEU . 48.9 t -119.66 124.8 73.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.079 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.715 ' HB ' HD12 ' A' ' 21' ' ' LEU . 27.7 m -97.34 130.81 44.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.098 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.29 103.27 0.97 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.118 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.818 ' C ' HD12 ' A' ' 96' ' ' LEU . 0.4 OUTLIER -57.08 147.24 56.87 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.593 0.711 . . . . 0.0 110.899 -179.912 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.612 ' N ' HD12 ' A' ' 96' ' ' LEU . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.181 0 C-N-CA 122.648 2.232 . . . . 0.0 112.394 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.565 HG13 ' HB3' ' A' ' 33' ' ' SER . 75.1 t . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.819 0.342 . . . . 0.0 111.126 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -117.94 157.53 26.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -71.96 93.89 1.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -73.63 -50.85 19.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -127.02 62.19 1.34 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.456 ' HB1' ' OG1' ' A' ' 87' ' ' THR . . . -56.7 178.95 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.601 HD22 ' HB3' ' A' ' 28' ' ' LEU . 9.1 mt -63.17 162.06 12.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -146.42 147.46 31.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 179.848 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 16' ' ' LYS . 2.4 p30 -34.6 123.34 0.53 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.2 mt -107.53 157.41 18.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -136.93 126.65 25.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.478 HG11 ' HB2' ' A' ' 26' ' ' ALA . 4.2 m -156.49 167.17 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.09 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.484 HD23 ' N ' ' A' ' 22' ' ' GLU . 1.4 tt -98.5 149.18 22.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.484 ' N ' HD23 ' A' ' 21' ' ' LEU . 10.1 pt-20 -53.3 159.79 1.28 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.36 57.81 14.11 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.467 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -148.88 -147.45 4.53 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.459 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -141.0 115.5 9.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.82 0.343 . . . . 0.0 111.13 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.703 ' N ' HD11 ' A' ' 70' ' ' LEU . . . -121.25 120.95 36.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.102 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.7 t -110.13 149.86 29.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.137 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.601 ' HB3' HD22 ' A' ' 15' ' ' LEU . 6.0 mp -101.66 135.0 43.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 69.5 mtt180 -121.63 133.65 54.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 19.5 p -155.73 130.48 9.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.487 HG13 ' O ' ' A' ' 61' ' ' ALA . 79.1 t -107.18 145.47 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.093 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.679 HD13 ' HB3' ' A' ' 36' ' ' ALA . 4.7 mt -99.88 147.62 25.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.565 ' HB3' HG13 ' A' ' 9' ' ' VAL . 40.4 t -39.67 -44.38 1.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.832 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 36.9 t -148.37 163.09 38.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 88.7 t -44.05 115.46 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.679 ' HB3' HD13 ' A' ' 32' ' ' LEU . . . -144.91 126.9 15.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.099 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.881 ' HB1' ' HA ' ' A' ' 38' ' ' PRO . . . -172.62 167.15 3.16 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.587 0.708 . . . . 0.0 111.111 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.881 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 53.3 Cg_endo -69.78 179.03 23.47 Favored 'Cis proline' 0 C--N 1.341 0.162 0 C-N-CA 122.679 -1.801 . . . . 0.0 112.334 0.002 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.516 HG21 HD21 ' A' ' 63' ' ' LEU . 50.2 t -125.91 147.22 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.3 tttt -105.48 125.41 50.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.494 ' CE3' HD22 ' A' ' 65' ' ' LEU . 45.6 m95 -114.05 102.66 10.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.907 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.421 ' HB2' HG23 ' A' ' 47' ' ' VAL . 44.1 t -118.73 128.3 54.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.678 ' CD1' ' CD1' ' A' ' 78' ' ' TYR . 16.7 t80 -110.79 102.52 11.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.894 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.94 -112.24 3.42 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.532 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 17.0 t30 -103.46 -60.16 1.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.853 0.358 . . . . 0.0 110.916 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 -73.83 114.77 12.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.421 HG23 ' HB2' ' A' ' 42' ' ' CYS . 8.6 p -60.35 143.91 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.436 HD22 ' CE1' ' A' ' 54' ' ' TYR . 60.0 mt -76.51 149.75 36.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.925 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 44.4 mtp180 -135.93 141.25 35.95 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.617 0.722 . . . . 0.0 110.851 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 146.88 61.64 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.671 2.247 . . . . 0.0 112.321 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 174.83 -94.33 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.488 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -125.53 -60.87 1.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.886 0.375 . . . . 0.0 110.878 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.407 ' HD2' ' CE2' ' A' ' 54' ' ' TYR . 6.8 tmtt? -58.44 -43.23 88.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.842 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.436 ' CE1' HD22 ' A' ' 48' ' ' LEU . 85.8 m-85 -107.81 149.22 28.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.949 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.423 ' C ' HD12 ' A' ' 56' ' ' LEU . 16.2 m -136.25 130.54 33.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.423 HD12 ' C ' ' A' ' 55' ' ' SER . 5.9 mp -129.99 124.69 33.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.2 tpt85 -125.0 107.88 11.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.853 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.8 tm0? -88.69 134.2 33.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -159.92 129.38 5.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 41.87 -111.61 0.33 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.481 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.487 ' O ' HG13 ' A' ' 31' ' ' VAL . . . -122.89 30.72 6.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.784 0.325 . . . . 0.0 111.076 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -126.75 142.05 51.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.516 HD21 HG21 ' A' ' 39' ' ' VAL . 7.1 mt -128.73 152.42 48.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -147.8 115.09 6.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.494 HD22 ' CE3' ' A' ' 41' ' ' TRP . 9.7 tp -112.9 102.91 10.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 91.6 t -79.73 141.28 15.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.093 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 91.3 t -132.55 107.41 12.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.128 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 37.0 mtt-85 -92.53 167.85 11.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 49.2 t30 60.89 54.67 3.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.703 HD11 ' N ' ' A' ' 26' ' ' ALA . 34.4 mt -76.21 164.19 26.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.942 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.484 ' C ' HG11 ' A' ' 93' ' ' VAL . 25.1 mtp180 -160.08 158.9 26.84 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.607 0.718 . . . . 0.0 110.885 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 3.25 2.92 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.65 2.233 . . . . 0.0 112.343 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 24.0 mm100 -109.57 -38.55 5.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 75' ' ' SER . 67.0 m-20 -51.85 -40.03 59.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.843 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 74' ' ' ASP . 4.0 m -34.51 108.48 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -141.97 -132.65 2.76 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.499 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.469 ' HB3' ' CZ ' ' A' ' 77' ' ' ARG . 20.5 ttp-105 -130.57 104.41 7.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.863 0.363 . . . . 0.0 110.921 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.678 ' CD1' ' CD1' ' A' ' 43' ' ' TYR . 49.1 m-85 -95.59 139.38 31.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 67.9 m -144.88 152.72 40.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 11.1 t -124.15 128.8 49.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 31.9 t -88.4 123.91 33.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.853 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.442 ' CE2' HD22 ' A' ' 32' ' ' LEU . 28.7 t80 -141.3 117.72 10.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 55.34 -102.57 0.17 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.453 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -119.16 -32.67 4.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.729 0.3 . . . . 0.0 110.879 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -85.68 148.01 26.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' THR . . . . . 0.4 HG22 ' N ' ' A' ' 87' ' ' THR . 85.7 m -130.88 152.89 49.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.096 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.456 ' OG1' ' HB1' ' A' ' 14' ' ' ALA . 14.3 t -121.83 158.87 27.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.136 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 88.2 p -151.21 132.94 14.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.837 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.54 ' HB2' ' HB2' ' A' ' 15' ' ' LEU . . . -133.02 170.35 15.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.116 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 35.8 m -132.32 125.25 30.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.104 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 34.6 tp -95.63 139.92 31.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.938 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 97.8 m -103.74 126.26 50.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.484 HG11 ' C ' ' A' ' 71' ' ' ARG . 64.6 t -119.0 117.66 55.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.095 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 91.5 m -91.98 141.59 28.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.13 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -83.36 125.18 31.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.625 ' C ' HD12 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -73.9 147.35 86.2 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.581 0.705 . . . . 0.0 110.906 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.545 ' N ' HD12 ' A' ' 96' ' ' LEU . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.154 0 C-N-CA 122.666 2.244 . . . . 0.0 112.336 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.417 HG21 ' HB2' ' A' ' 36' ' ' ALA . 55.5 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.798 0.333 . . . . 0.0 111.171 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.419 ' HB3' ' NH1' ' A' ' 10' ' ' ARG . 4.5 mmm180 -99.58 129.07 45.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -58.56 89.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 38.7 tp60 -63.53 -66.1 0.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -122.57 68.5 0.96 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.546 ' HB1' ' OG1' ' A' ' 87' ' ' THR . . . -58.2 174.35 0.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.066 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.4 HD22 ' HB3' ' A' ' 28' ' ' LEU . 8.2 mt -52.7 157.28 1.64 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.8 pttt -141.86 159.13 42.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -47.04 135.24 9.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.415 HD23 ' CD1' ' A' ' 91' ' ' LEU . 12.4 tp -128.54 144.34 51.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -113.2 118.2 34.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 16.5 t -142.96 153.31 17.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.076 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.694 HD23 ' N ' ' A' ' 22' ' ' GLU . 5.2 tt -88.07 154.62 20.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.887 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.694 ' N ' HD23 ' A' ' 21' ' ' LEU . 12.1 pt-20 -69.39 157.78 36.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.79 27.62 68.67 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.464 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -137.14 -139.63 3.94 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.479 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -137.16 145.62 43.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.773 0.32 . . . . 0.0 111.07 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.756 ' HB2' HD11 ' A' ' 70' ' ' LEU . . . -111.69 123.18 49.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.1 m -116.01 114.85 25.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.4 ' HB3' HD22 ' A' ' 15' ' ' LEU . 4.2 mp -105.12 161.08 14.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 63.5 mtm-85 -145.81 157.69 43.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.409 ' SG ' HD23 ' A' ' 63' ' ' LEU . 26.1 p -167.66 125.4 1.2 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 46.9 t -104.21 121.67 56.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 23.4 mt -84.59 174.19 10.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.946 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.7 t -57.33 -32.13 66.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.417 ' C ' ' HB2' ' A' ' 61' ' ' ALA . 8.1 t -165.77 179.17 6.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 77.9 t -59.35 111.33 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.137 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.702 ' HB1' ' CZ ' ' A' ' 82' ' ' PHE . . . -135.0 119.51 18.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.069 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.852 ' HB1' ' HA ' ' A' ' 38' ' ' PRO . . . -171.72 166.97 3.82 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.597 0.713 . . . . 0.0 111.059 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.852 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 53.8 Cg_endo -69.71 154.31 93.09 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.726 -1.781 . . . . 0.0 112.364 -0.026 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.585 HG21 HD11 ' A' ' 63' ' ' LEU . 9.0 t -105.37 162.28 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.172 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.491 ' N ' HG12 ' A' ' 39' ' ' VAL . 44.6 tttm -110.86 148.36 32.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.65 ' CZ3' HD22 ' A' ' 65' ' ' LEU . 25.7 m95 -127.96 140.46 51.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 15.3 p -153.3 133.81 13.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.442 ' CD1' ' CE1' ' A' ' 78' ' ' TYR . 6.3 t80 -116.93 108.82 16.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.948 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.61 -99.18 0.72 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.484 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -128.04 45.37 2.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.825 0.345 . . . . 0.0 110.927 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -160.43 157.3 27.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.549 ' O ' HG13 ' A' ' 47' ' ' VAL . 10.0 p -99.64 119.71 48.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.098 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 74.6 mt -72.51 136.66 45.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.417 ' NH1' ' HB2' ' A' ' 49' ' ' ARG . 16.7 mtm105 -125.08 143.9 45.58 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.637 0.732 . . . . 0.0 110.881 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 129.79 18.25 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.672 2.248 . . . . 0.0 112.304 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -160.3 -140.4 2.88 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.512 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -85.31 -38.66 18.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.932 0.396 . . . . 0.0 110.887 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.2 tptm -73.66 -64.2 1.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -83.46 150.13 26.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 26.6 m -132.9 98.78 4.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.432 HD23 ' CD1' ' A' ' 41' ' ' TRP . 5.4 mp -108.41 100.91 10.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -105.37 108.48 20.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 23.2 tm0? -78.53 141.48 38.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -153.79 110.6 3.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.838 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 47.48 -123.13 8.16 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.465 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.417 ' HB2' ' C ' ' A' ' 34' ' ' SER . . . -102.69 53.3 0.78 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.786 0.327 . . . . 0.0 111.088 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.596 ' C ' HD22 ' A' ' 63' ' ' LEU . 22.2 ttp -155.43 140.14 17.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.769 ' N ' HD22 ' A' ' 63' ' ' LEU . 0.7 OUTLIER -121.66 132.85 54.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -122.39 135.81 54.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.84 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.65 HD22 ' CZ3' ' A' ' 41' ' ' TRP . 9.9 tp -135.46 116.79 14.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 73.7 t -110.0 115.65 50.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.076 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.0 t -113.97 107.24 22.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.111 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -80.6 179.36 7.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.837 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.6 m120 56.32 45.42 22.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.756 HD11 ' HB2' ' A' ' 26' ' ' ALA . 12.3 mt -60.8 153.55 24.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 40.2 mtt-85 -149.33 153.26 37.21 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.612 0.72 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -6.64 19.07 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.71 2.273 . . . . 0.0 112.322 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -113.62 -29.84 7.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -55.84 -40.98 73.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.2 p -39.87 150.46 0.05 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.816 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -167.45 -125.23 0.76 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.474 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 36.3 ttp180 -128.67 99.53 5.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.878 0.37 . . . . 0.0 110.871 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.442 ' CE1' ' CD1' ' A' ' 43' ' ' TYR . 63.5 m-85 -90.02 107.78 19.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.0 p -127.34 124.42 38.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 36.0 t -91.23 136.64 32.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.919 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.3 m -106.42 132.57 52.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.702 ' CZ ' ' HB1' ' A' ' 36' ' ' ALA . 28.2 t80 -163.56 135.81 5.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 56.34 -116.6 7.7 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.489 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -115.19 -24.27 8.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.733 0.301 . . . . 0.0 110.862 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 26.8 mp0 -90.46 155.22 19.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 87.8 m -144.25 126.49 15.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.546 ' OG1' ' HB1' ' A' ' 14' ' ' ALA . 14.6 t -99.8 152.44 20.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.137 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 83.5 p -139.56 136.32 34.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -139.08 166.67 23.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.112 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 58.6 m -128.08 135.58 50.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.166 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.415 ' CD1' HD23 ' A' ' 18' ' ' LEU . 15.0 tp -99.67 125.44 45.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.955 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 55.3 m -95.36 106.42 18.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.126 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 59.4 t -96.78 118.46 43.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.142 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.8 m -85.12 124.57 31.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.112 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 96' ' ' LEU . . . -75.46 117.5 17.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.119 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.645 ' HG ' HD21 ' A' ' 21' ' ' LEU . 9.8 mt -35.75 145.48 0.22 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.627 0.727 . . . . 0.0 110.913 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.473 ' HD2' HD23 ' A' ' 96' ' ' LEU . 53.9 Cg_endo . . . . . 0 C--N 1.342 0.215 0 C-N-CA 122.716 2.277 . . . . 0.0 112.325 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 56.0 t . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.827 0.346 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.4 mtm105 -76.27 -175.03 3.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -124.56 86.95 2.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 46.2 tp60 -62.96 -53.44 54.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.871 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -132.17 74.54 1.59 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.871 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.918 ' HB1' HG21 ' A' ' 87' ' ' THR . . . -64.87 178.49 0.8 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.101 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.693 HD22 ' HB3' ' A' ' 28' ' ' LEU . 89.1 mt -55.93 148.28 17.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.955 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.12 151.33 51.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -42.0 154.79 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.5 mt -136.88 150.68 48.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -128.82 126.26 39.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.535 HG22 ' N ' ' A' ' 21' ' ' LEU . 2.6 p -157.17 160.18 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.136 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.535 ' N ' HG22 ' A' ' 20' ' ' VAL . 3.2 tp -107.06 131.6 53.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 21' ' ' LEU . 9.8 tp10 -37.78 125.7 1.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 112.42 41.08 1.07 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.475 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -160.53 -144.68 4.05 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.479 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.409 ' C ' HD11 ' A' ' 70' ' ' LEU . . . -139.58 153.17 47.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.783 0.325 . . . . 0.0 111.116 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -118.24 130.11 55.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.128 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 26.2 m -122.58 127.3 49.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.693 ' HB3' HD22 ' A' ' 15' ' ' LEU . 4.6 mp -109.11 132.45 54.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.888 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.4 mtm105 -124.26 131.84 53.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.5 p -150.55 131.68 14.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.849 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 46.9 t -103.45 136.06 38.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.191 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 22.2 mt -95.5 146.6 24.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 t -45.59 -31.79 2.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.1 m -140.89 174.45 10.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.831 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.789 HG22 ' HB2' ' A' ' 61' ' ' ALA . 84.6 t -85.11 95.65 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.147 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.03 129.9 38.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.864 ' HB1' ' HA ' ' A' ' 38' ' ' PRO . . . -174.96 166.97 2.01 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.609 0.718 . . . . 0.0 111.061 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.864 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 54.0 Cg_endo -69.75 -179.9 20.43 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.343 -0.014 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.9 m -123.01 175.32 6.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.7 tptp -110.82 122.18 47.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 52.8 m95 -99.98 160.11 14.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.921 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 46.5 t -152.28 119.93 6.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.702 ' HB3' HD11 ' A' ' 48' ' ' LEU . 4.3 t80 -146.89 111.13 5.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 43' ' ' TYR . . . 34.9 37.27 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.518 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 26.5 t30 -171.19 178.85 3.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.878 0.37 . . . . 0.0 110.849 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -70.74 -63.29 1.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 8.3 p -144.07 139.83 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.138 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.702 HD11 ' HB3' ' A' ' 43' ' ' TYR . 38.3 mt -88.58 146.2 25.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 47.9 mtp180 -124.26 143.99 44.38 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.596 0.712 . . . . 0.0 110.822 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 145.13 55.97 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.653 2.235 . . . . 0.0 112.372 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -179.75 -146.99 7.14 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.489 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -80.62 -46.61 15.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.874 0.369 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.1 tptt -61.32 -44.91 96.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -111.89 172.15 7.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.9 m -154.02 110.37 3.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.848 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.507 ' N ' HD12 ' A' ' 56' ' ' LEU . 6.5 mp -105.7 109.32 21.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 36.4 ttp180 -126.03 115.46 19.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.461 ' OE1' ' CD1' ' A' ' 63' ' ' LEU . 26.5 tp60 -85.79 137.71 32.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -133.35 82.55 2.0 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.21 -97.43 0.59 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.495 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.789 ' HB2' HG22 ' A' ' 35' ' ' VAL . . . -123.63 31.71 5.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.785 0.326 . . . . 0.0 111.137 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 18.1 tmm? -134.75 136.81 42.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.461 ' CD1' ' OE1' ' A' ' 58' ' ' GLN . 2.4 mm? -101.57 139.17 37.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.457 ' C ' ' OE1' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -128.65 127.07 41.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.916 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.8 tp -131.85 123.6 27.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 56.6 t -111.63 148.73 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 49.0 t -136.83 105.34 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 46.7 mtp180 -84.07 155.86 22.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 64.09 48.99 2.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.43 HD22 HD21 ' A' ' 91' ' ' LEU . 85.9 mt -53.92 152.41 5.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 84.3 mtm180 -143.86 151.87 54.08 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.601 0.715 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -2.43 10.16 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.696 2.264 . . . . 0.0 112.322 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -106.13 -26.45 11.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.1 -39.99 88.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 50.5 p -45.6 101.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.838 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -133.06 -120.41 2.12 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.504 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 19.7 ttm180 -129.0 94.3 3.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.851 0.358 . . . . 0.0 110.929 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.405 ' CE2' ' CG ' ' A' ' 43' ' ' TYR . 75.9 m-85 -87.83 103.88 16.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 82.7 p -117.36 145.22 44.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.834 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.9 t -118.2 110.53 17.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.858 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 70.6 m -97.63 127.95 43.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -162.75 109.63 1.23 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 91.99 -105.08 3.25 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.447 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -126.63 -41.08 1.88 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.798 0.332 . . . . 0.0 110.85 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -84.85 152.66 23.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 83.1 m -144.85 136.21 25.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.918 HG21 ' HB1' ' A' ' 14' ' ' ALA . 10.2 t -116.96 161.63 19.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.156 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 76.6 p -141.66 151.65 43.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.857 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -141.35 174.5 10.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.079 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 15.8 m -134.73 150.78 50.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.43 HD21 HD22 ' A' ' 70' ' ' LEU . 54.4 tp -115.81 136.47 53.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 40.0 m -103.46 112.0 24.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.188 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 59.9 t -122.79 108.7 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.164 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.455 ' HB ' HD12 ' A' ' 21' ' ' LEU . 27.1 m -90.49 135.73 33.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.76 121.7 13.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.084 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.434 ' CD2' ' HD2' ' A' ' 97' ' ' PRO . 13.8 mt -40.21 152.9 0.21 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.609 0.719 . . . . 0.0 110.906 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.434 ' HD2' ' CD2' ' A' ' 96' ' ' LEU . 53.1 Cg_endo . . . . . 0 C--N 1.341 0.161 0 C-N-CA 122.687 2.258 . . . . 0.0 112.305 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.558 HG13 ' HB3' ' A' ' 33' ' ' SER . 89.6 t . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.822 0.344 . . . . 0.0 111.09 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 55.9 mtt-85 -104.98 149.91 25.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.43 ' HB3' ' HB2' ' A' ' 14' ' ' ALA . 8.3 m-85 -74.94 104.9 5.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.48 ' HG3' ' N ' ' A' ' 13' ' ' GLU . 1.8 pt20 -83.86 -36.54 23.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.931 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.48 ' N ' ' HG3' ' A' ' 12' ' ' GLN . 8.2 mm-40 -134.97 50.87 2.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.43 ' HB2' ' HB3' ' A' ' 11' ' ' PHE . . . -45.47 165.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.123 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.525 HD22 ' HB3' ' A' ' 28' ' ' LEU . 6.6 mt -54.0 173.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.929 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.503 ' O ' ' CD1' ' A' ' 18' ' ' LEU . 32.8 mtmt -154.41 134.48 13.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.912 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -40.11 119.21 1.0 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.861 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.503 ' CD1' ' O ' ' A' ' 16' ' ' LYS . 3.0 mp -110.06 164.47 12.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -128.07 122.74 32.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.555 HG11 ' CD1' ' A' ' 70' ' ' LEU . 97.3 t -141.72 155.31 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.72 HD23 ' N ' ' A' ' 22' ' ' GLU . 4.4 tt -90.06 147.55 23.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.938 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.72 ' N ' HD23 ' A' ' 21' ' ' LEU . 5.5 pt-20 -60.54 142.63 55.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.52 37.84 8.58 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -149.25 -141.86 3.5 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.544 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -142.19 141.23 32.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.818 0.342 . . . . 0.0 111.09 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -112.89 116.87 30.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.086 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 25.3 m -102.31 113.21 26.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.802 HD13 HD23 ' A' ' 65' ' ' LEU . 5.1 mp -92.88 142.06 27.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 55.6 mtt180 -126.38 147.6 49.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 27.1 p -172.78 127.93 0.49 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.476 HG13 ' O ' ' A' ' 61' ' ' ALA . 59.7 t -103.37 146.71 10.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.803 HD22 ' CE2' ' A' ' 82' ' ' PHE . 8.8 mt -103.89 148.24 26.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.558 ' HB3' HG13 ' A' ' 9' ' ' VAL . 3.6 t -38.23 -43.55 0.79 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.826 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 81.7 p -139.26 172.32 12.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.61 HG13 ' O ' ' A' ' 60' ' ' GLY . 53.8 t -75.49 95.96 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.146 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -124.73 135.33 52.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.059 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.866 ' HB1' ' HA ' ' A' ' 38' ' ' PRO . . . -175.07 167.45 1.9 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.576 0.703 . . . . 0.0 111.106 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.866 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 54.4 Cg_endo -69.71 -179.52 19.3 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.347 -0.021 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.1 m -120.33 176.16 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.108 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 39.5 tttt -126.58 124.82 40.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.529 ' CZ3' HD22 ' A' ' 65' ' ' LEU . 62.5 m95 -110.15 112.5 24.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.1 p -127.04 125.16 40.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -116.04 94.12 4.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.37 -152.56 43.43 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.488 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 23.2 m-20 -49.57 -58.96 4.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.827 0.346 . . . . 0.0 110.872 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -70.64 171.23 10.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.1 t -119.16 132.91 67.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.127 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 81.5 mt -68.33 118.88 12.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.923 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.2 mmm180 -114.01 145.98 34.71 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.599 0.714 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 155.77 65.1 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.702 2.268 . . . . 0.0 112.318 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 150.89 -120.2 1.08 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.519 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -99.85 -43.93 6.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.83 0.348 . . . . 0.0 110.863 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.455 ' CG ' ' CE2' ' A' ' 54' ' ' TYR . 17.0 tptm -54.34 -53.59 51.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.455 ' CE2' ' CG ' ' A' ' 53' ' ' LYS . 12.8 m-85 -125.29 171.89 10.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.944 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.1 t -134.29 119.18 18.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.82 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 28.9 mt -113.19 93.52 4.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.953 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 20.2 ttp180 -102.46 118.09 36.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.432 ' NE2' ' HB2' ' A' ' 37' ' ' ALA . 36.3 tp60 -89.04 127.57 35.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -141.08 124.3 16.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.61 ' O ' HG13 ' A' ' 35' ' ' VAL . . . 41.73 -112.22 0.38 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.488 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.572 ' HB2' HG22 ' A' ' 35' ' ' VAL . . . -120.54 35.3 4.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.745 0.307 . . . . 0.0 111.083 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.467 ' CE ' HG23 ' A' ' 31' ' ' VAL . 5.1 ttm -137.23 143.13 42.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.605 HD21 HD11 ' A' ' 32' ' ' LEU . 3.2 mm? -106.95 151.07 25.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.894 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -135.82 124.15 23.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.802 HD23 HD13 ' A' ' 28' ' ' LEU . 4.5 tp -126.88 114.89 18.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 91.0 t -104.13 131.17 53.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.4 t -117.22 108.05 23.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.105 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 26.1 mtp85 -87.14 162.79 17.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.843 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 64.44 51.76 1.96 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.555 ' CD1' HG11 ' A' ' 20' ' ' VAL . 81.9 mt -64.53 153.92 37.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 26.0 mmm180 -147.36 156.64 46.02 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.577 0.703 . . . . 0.0 110.9 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -19.33 36.37 Favored 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.709 2.273 . . . . 0.0 112.366 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 18.1 pm0 -102.26 -24.89 13.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -56.23 -37.99 70.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.614 ' OG ' HG23 ' A' ' 93' ' ' VAL . 15.7 m -40.39 112.42 0.28 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -137.4 -141.35 4.21 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.486 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 18.8 ttp180 -116.71 101.94 9.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.785 0.326 . . . . 0.0 110.894 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -90.14 124.35 34.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 68.1 m -123.83 134.83 53.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 2.9 t -110.73 121.24 44.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.3 t -100.28 131.95 45.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.803 ' CE2' HD22 ' A' ' 32' ' ' LEU . 1.2 t80 -164.29 117.74 1.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 79.65 -115.58 4.11 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.488 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -113.93 -41.76 3.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.771 0.319 . . . . 0.0 110.904 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -82.65 159.05 22.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 38.8 m -145.82 117.72 8.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.177 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.8 t -94.42 156.28 16.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.163 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 97.8 p -141.29 136.52 31.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -134.91 175.22 9.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.064 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 96.1 m -128.21 144.45 51.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 21.5 tp -110.75 138.37 47.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.941 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 47.2 m -106.57 129.97 54.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.147 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.614 HG23 ' OG ' ' A' ' 75' ' ' SER . 52.7 t -126.3 123.06 62.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.171 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 25.4 m -93.04 129.22 39.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.146 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 96' ' ' LEU . . . -75.5 124.54 27.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.078 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.45 ' C ' ' O ' ' A' ' 95' ' ' ALA . 37.7 mt -34.43 148.39 0.1 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.609 0.718 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.342 0.198 0 C-N-CA 122.69 2.26 . . . . 0.0 112.353 179.888 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.7 m -118.86 172.33 7.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.879 0.371 . . . . 0.0 110.853 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 t -79.99 -56.83 3.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.826 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.29 38.08 0.17 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.518 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.7 m 43.6 44.61 5.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.912 0.387 . . . . 0.0 110.867 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.1 t -59.47 -62.04 2.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.905 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.64 146.26 4.45 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.524 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 155.74 65.17 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.697 2.265 . . . . 0.0 112.336 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 22.2 t -104.61 101.45 12.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.151 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -65.24 163.36 15.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -110.92 87.69 2.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.3 tp60 -59.89 -55.42 34.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -133.25 73.8 1.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.71 ' HB1' ' OG1' ' A' ' 87' ' ' THR . . . -60.72 -178.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.155 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.65 HD22 ' HB3' ' A' ' 28' ' ' LEU . 4.4 mt -70.25 139.2 52.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.933 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.4 mmtp -117.89 165.92 13.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -52.03 132.59 32.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.432 ' CD1' ' HG ' ' A' ' 28' ' ' LEU . 7.1 mt -113.58 145.65 40.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.918 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -120.82 111.83 18.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.569 HG21 ' CD1' ' A' ' 70' ' ' LEU . 1.0 OUTLIER -142.22 152.26 18.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.105 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.627 HD23 ' N ' ' A' ' 22' ' ' GLU . 5.7 tt -101.61 147.8 25.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.627 ' N ' HD23 ' A' ' 21' ' ' LEU . 18.6 tt0 -58.31 123.13 15.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 124.11 27.62 1.35 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.478 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -156.3 -144.33 3.9 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.511 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -137.93 146.25 43.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.778 0.323 . . . . 0.0 111.105 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -112.89 122.02 46.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.112 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.421 ' CG2' ' HG2' ' A' ' 64' ' ' GLU . 45.4 m -118.92 109.5 16.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.143 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.65 ' HB3' HD22 ' A' ' 15' ' ' LEU . 2.6 mp -82.07 158.75 23.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 50.6 mtm180 -144.56 144.66 31.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.5 p -162.42 132.77 4.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 99.1 t -104.3 128.48 57.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.7 mt -83.76 158.4 21.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.0 t -68.16 -25.37 65.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.7 t -142.2 149.71 40.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.3 t -75.66 112.54 13.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.098 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.64 152.35 36.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.861 ' HB1' ' HA ' ' A' ' 38' ' ' PRO . . . -174.95 166.94 2.02 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.59 0.709 . . . . 0.0 111.075 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.861 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 53.4 Cg_endo -69.79 174.49 40.45 Favored 'Cis proline' 0 C--O 1.231 0.148 0 C-N-CA 122.74 -1.775 . . . . 0.0 112.302 0.028 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.732 HG21 HD11 ' A' ' 63' ' ' LEU . 94.7 t -112.62 163.31 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.611 ' N ' HG12 ' A' ' 39' ' ' VAL . 20.5 tttt -113.12 136.96 52.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.967 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.736 ' CD1' HD22 ' A' ' 56' ' ' LEU . 33.7 m95 -120.45 128.48 53.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.938 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.0 p -133.81 146.29 50.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.94 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -141.64 106.47 4.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 85.16 -101.67 2.54 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.488 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -114.91 -55.24 2.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.858 0.361 . . . . 0.0 110.908 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -73.31 163.09 28.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 8.1 p -94.42 136.59 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 97.2 mt -73.17 147.21 45.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 49.5 mtt180 -132.34 146.51 61.87 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.598 0.713 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 130.78 19.88 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.677 2.251 . . . . 0.0 112.36 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -172.94 -143.2 4.1 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.492 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -81.09 -56.96 3.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.874 0.369 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.4 tptm -51.61 -51.2 57.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -114.34 152.11 31.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.3 t -135.58 107.42 7.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.82 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.736 HD22 ' CD1' ' A' ' 41' ' ' TRP . 2.8 mt -98.6 137.35 37.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 24.9 mmt-85 -141.18 135.74 31.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.3 tm0? -123.94 132.64 53.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.946 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -158.97 117.38 2.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 45.82 76.42 0.13 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.471 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 40.19 49.58 2.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.755 0.312 . . . . 0.0 111.103 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.462 ' C ' HD22 ' A' ' 63' ' ' LEU . 7.7 ttt -145.23 129.74 17.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.732 HD11 HG21 ' A' ' 39' ' ' VAL . 1.9 mm? -110.7 158.93 18.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.941 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.825 ' OE1' HG23 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -151.77 110.52 3.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.5 tp -115.6 112.27 21.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.825 HG23 ' OE1' ' A' ' 64' ' ' GLU . 48.9 t -95.8 144.4 10.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.117 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.7 t -131.89 107.77 13.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.102 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 23.1 mmt180 -85.9 164.34 17.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 58.47 45.52 16.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.569 ' CD1' HG21 ' A' ' 20' ' ' VAL . 13.0 mt -49.66 126.94 14.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 39.4 mtp85 -130.6 154.02 81.61 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.648 0.737 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -3.84 12.8 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.678 2.252 . . . . 0.0 112.364 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -107.9 -4.92 17.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -82.48 -29.69 30.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 69.5 m -48.31 114.09 0.88 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -146.39 -138.39 3.18 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.472 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -125.79 97.77 5.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.839 0.352 . . . . 0.0 110.947 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -90.89 107.49 19.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.9 p -117.19 129.93 56.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 23.3 t -96.46 123.35 40.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 41.7 m -94.31 107.87 19.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.843 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.401 ' CE1' ' HA ' ' A' ' 39' ' ' VAL . 2.7 t80 -152.16 124.65 8.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.899 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 83.45 -138.32 17.53 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.45 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -101.52 -27.18 13.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.756 0.313 . . . . 0.0 110.874 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -101.36 159.64 15.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 17.4 m -131.62 144.33 50.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.71 ' OG1' ' HB1' ' A' ' 14' ' ' ALA . 10.3 t -112.54 162.21 15.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 45.2 t -155.02 136.87 14.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.828 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -138.21 173.1 11.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.061 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 90.8 m -130.38 139.97 50.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.196 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 34.1 tp -102.66 147.28 27.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 56.6 m -114.58 116.12 28.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.136 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 62.0 t -123.28 114.11 40.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.126 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 8.0 m -94.04 128.64 40.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 96' ' ' LEU . . . -66.48 119.8 12.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.091 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.458 HD23 ' HD2' ' A' ' 97' ' ' PRO . 5.3 mt -35.82 144.0 0.26 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.556 0.694 . . . . 0.0 110.94 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.458 ' HD2' HD23 ' A' ' 96' ' ' LEU . 53.5 Cg_endo -69.69 -2.4 10.06 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.684 2.256 . . . . 0.0 112.311 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.4 t 56.86 48.77 15.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.824 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -74.14 -158.19 5.56 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.499 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 2.76 3.24 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.689 2.259 . . . . 0.0 112.368 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 16.4 m -51.16 140.36 16.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 80.6 p -64.07 -61.82 2.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.852 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.472 179.98 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 3' ' ' SER . 1.3 t -93.58 168.54 10.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.878 0.37 . . . . 0.0 110.896 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 2' ' ' SER . 62.6 p -35.18 118.25 0.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.42 122.82 5.44 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.481 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 p -129.22 174.83 9.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.875 0.369 . . . . 0.0 110.854 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 m -152.5 122.86 7.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.91 156.93 8.35 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.488 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -177.45 1.89 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.667 2.245 . . . . 0.0 112.371 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.2 t -65.55 105.05 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.111 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -74.07 143.78 45.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -81.57 92.94 6.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -63.04 -57.26 11.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -130.02 66.19 1.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.592 ' HB1' ' OG1' ' A' ' 87' ' ' THR . . . -54.47 172.42 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.072 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.7 mt -49.38 168.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.7 mtmt -140.79 171.73 13.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -76.35 123.13 25.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.6 mp -121.71 151.61 40.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -136.92 124.11 21.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.526 HG12 ' N ' ' A' ' 21' ' ' LEU . 98.2 t -142.13 158.74 20.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.618 HD12 ' HB ' ' A' ' 94' ' ' THR . 2.4 tp -83.87 143.59 29.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -51.53 166.85 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.69 36.27 92.12 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.506 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -144.23 -145.99 4.44 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.526 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -142.03 143.99 33.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.826 0.346 . . . . 0.0 111.103 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -116.85 114.74 24.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.112 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 12.0 m -104.53 105.47 15.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.594 ' N ' HD12 ' A' ' 28' ' ' LEU . 2.8 mp -91.15 150.94 21.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 26.2 mtt85 -139.51 151.99 46.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.0 p -164.15 139.46 6.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 82.3 t -115.33 143.99 23.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.404 ' N ' HD12 ' A' ' 32' ' ' LEU . 3.6 mp -110.1 156.72 20.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.953 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.1 t -53.46 -35.81 60.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.839 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.6 m -135.87 172.24 13.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.515 HG13 ' H ' ' A' ' 61' ' ' ALA . 5.9 t -92.2 105.44 16.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.422 ' HB3' ' HE2' ' A' ' 82' ' ' PHE . . . -136.94 132.51 34.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.098 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.872 ' HB1' ' HA ' ' A' ' 38' ' ' PRO . . . -161.54 167.02 13.77 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.605 0.717 . . . . 0.0 111.1 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.872 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 54.3 Cg_endo -69.65 174.32 40.66 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.728 -1.78 . . . . 0.0 112.381 -0.108 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.485 HG12 ' N ' ' A' ' 40' ' ' LYS . 30.5 t -115.4 158.05 15.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.115 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.485 ' N ' HG12 ' A' ' 39' ' ' VAL . 59.3 tttt -106.76 120.07 41.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.927 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.764 ' CD1' HD23 ' A' ' 56' ' ' LEU . 21.1 m95 -97.43 152.78 18.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 51.6 t -141.01 128.61 21.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.863 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.401 ' HB2' HD11 ' A' ' 48' ' ' LEU . 5.2 t80 -125.19 103.73 8.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.43 -88.21 0.2 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.501 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -124.61 -56.97 1.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.879 0.371 . . . . 0.0 110.872 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -66.64 159.45 27.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.428 ' O ' HG13 ' A' ' 47' ' ' VAL . 8.8 p -93.77 129.35 44.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.151 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.401 HD11 ' HB2' ' A' ' 43' ' ' TYR . 83.7 mt -69.19 140.49 54.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 32.9 mtp180 -132.27 143.97 51.14 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.592 0.71 . . . . 0.0 110.879 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 138.51 38.12 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.7 2.267 . . . . 0.0 112.337 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -178.72 -111.0 0.29 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.516 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -112.36 -60.6 1.84 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.856 0.36 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.408 ' HD2' ' CZ ' ' A' ' 54' ' ' TYR . 2.0 tmtt? -48.4 -49.33 35.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.408 ' CZ ' ' HD2' ' A' ' 53' ' ' LYS . 82.4 m-85 -107.28 168.03 9.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.2 t -148.45 105.86 3.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.854 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.764 HD23 ' CD1' ' A' ' 41' ' ' TRP . 5.1 mp -113.87 132.88 55.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.932 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 18.5 ttt85 -138.4 159.87 40.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.598 ' OE1' HD11 ' A' ' 63' ' ' LEU . 31.8 tp60 -121.41 132.8 54.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 60' ' ' GLY . 20.2 tt0 -150.27 106.23 3.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 59' ' ' GLU . . . 34.36 72.17 0.11 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.523 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.515 ' H ' HG13 ' A' ' 35' ' ' VAL . . . 51.96 49.56 20.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.752 0.311 . . . . 0.0 111.121 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.8 ttm -146.69 112.31 5.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.598 HD11 ' OE1' ' A' ' 58' ' ' GLN . 2.7 mm? -105.77 136.19 45.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.932 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -130.71 110.11 11.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.662 HD22 ' CZ3' ' A' ' 41' ' ' TRP . 4.0 tp -102.99 117.49 34.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.2 t -104.77 138.91 27.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.083 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 95.3 t -129.95 116.2 36.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.113 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 19.5 mmt85 -93.15 163.45 13.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.5 m120 56.63 52.61 9.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 18.0 mt -63.26 143.84 57.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.95 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.0 mtp180 -142.85 152.33 58.74 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.629 0.728 . . . . 0.0 110.831 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PRO . . . . . 0.481 ' HG2' ' NE2' ' A' ' 73' ' ' GLN . 53.5 Cg_endo -69.81 1.64 4.28 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.674 2.249 . . . . 0.0 112.328 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.481 ' NE2' ' HG2' ' A' ' 72' ' ' PRO . 22.7 mp0 -103.29 -25.04 13.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 75' ' ' SER . 3.4 m-20 -76.44 -33.19 58.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.874 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 74' ' ' ASP . 6.1 p -36.09 124.57 0.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -162.01 -137.05 2.11 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 8.2 ttp-105 -124.01 110.94 15.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.782 0.325 . . . . 0.0 110.821 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -97.15 113.83 25.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.4 p -117.43 162.67 17.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 44.1 t -131.38 112.09 12.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.8 t -85.45 128.2 34.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.422 ' HE2' ' HB3' ' A' ' 36' ' ' ALA . 2.2 t80 -161.93 131.61 4.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.858 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 57.07 -128.16 46.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.508 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -103.36 -21.68 13.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.767 0.318 . . . . 0.0 110.847 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -98.65 140.58 32.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.933 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 83.7 m -129.75 134.67 47.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.592 ' OG1' ' HB1' ' A' ' 14' ' ' ALA . 14.6 t -103.16 158.25 16.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.16 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 89.2 p -151.35 122.4 7.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -121.57 171.93 8.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.086 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 99.1 m -127.88 143.44 51.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 15.2 tp -122.38 127.17 49.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.971 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 84.8 m -101.46 122.15 43.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.145 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 47.7 t -117.18 111.24 34.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.618 ' HB ' HD12 ' A' ' 21' ' ' LEU . 9.7 m -84.1 147.04 27.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.179 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 96' ' ' LEU . . . -92.87 123.43 36.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.087 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 95' ' ' ALA . 12.6 mt -36.88 151.06 0.12 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.677 0.751 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -164.54 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.665 2.243 . . . . 0.0 112.32 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 68.6 m -153.27 163.76 39.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 79.81 172.17 43.37 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.498 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 101.55 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.682 2.254 . . . . 0.0 112.347 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.5 t -97.3 -44.27 6.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 36.9 m -93.27 -56.64 2.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.816 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.516 179.998 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 76.7 p -112.33 170.02 8.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.85 0.357 . . . . 0.0 110.866 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m -102.43 157.23 17.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.82 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.59 -133.9 1.88 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.456 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.6 m -66.06 81.55 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.817 0.341 . . . . 0.0 110.84 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.6 m -51.74 -48.25 63.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.12 -158.18 27.55 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.471 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 9' ' ' VAL . 53.7 Cg_endo -69.79 138.05 36.83 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.704 2.27 . . . . 0.0 112.346 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.447 ' C ' ' O ' ' A' ' 8' ' ' PRO . 39.0 t -33.98 114.14 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -98.74 172.71 7.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.835 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -94.95 92.46 6.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -69.23 -53.75 18.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -127.53 64.94 1.34 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.587 ' HB1' ' OG1' ' A' ' 87' ' ' THR . . . -56.67 -175.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 31.9 mt -64.53 169.68 4.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? -148.03 174.24 12.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.4 p-10 -66.65 135.72 54.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.862 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.469 ' CD1' ' HG ' ' A' ' 28' ' ' LEU . 11.5 mt -129.99 152.55 49.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -136.62 129.4 30.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.625 HG12 ' N ' ' A' ' 21' ' ' LEU . 96.2 t -151.15 164.32 2.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.707 HD12 ' HB ' ' A' ' 94' ' ' THR . 17.5 tp -92.05 152.66 19.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.934 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -66.76 153.35 43.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.57 27.25 43.55 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.503 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -140.96 -141.05 3.93 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.476 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -141.39 145.59 35.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.809 0.338 . . . . 0.0 111.078 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.754 ' HB2' HD11 ' A' ' 70' ' ' LEU . . . -114.7 118.18 32.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.065 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 38.8 m -107.89 123.9 49.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.469 ' HG ' ' CD1' ' A' ' 18' ' ' LEU . 5.2 mp -105.32 158.35 16.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.0 mmt85 -142.68 150.26 39.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.418 ' SG ' HD23 ' A' ' 63' ' ' LEU . 29.1 p -166.45 127.09 1.68 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 37.9 t -108.85 132.68 56.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.482 HD11 ' CD2' ' A' ' 63' ' ' LEU . 4.0 mp -102.77 163.77 12.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 83.5 p -58.29 -22.93 54.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.4 m -163.31 148.86 11.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.856 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.45 ' HB ' ' N ' ' A' ' 61' ' ' ALA . 1.9 p -63.72 133.9 29.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.115 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.554 ' CB ' ' CZ ' ' A' ' 82' ' ' PHE . . . -146.17 151.16 37.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.098 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.859 ' HB1' ' HA ' ' A' ' 38' ' ' PRO . . . -174.08 167.03 2.42 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.557 0.694 . . . . 0.0 111.101 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.859 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 53.9 Cg_endo -69.72 158.83 90.47 Favored 'Cis proline' 0 C--O 1.231 0.152 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.363 -0.046 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.3 t -109.84 144.24 18.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.117 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.422 ' HD2' ' N ' ' A' ' 41' ' ' TRP . 1.4 tmmm? -105.55 136.34 45.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.422 ' N ' ' HD2' ' A' ' 40' ' ' LYS . 39.6 m95 -120.05 110.6 16.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.911 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.5 t -131.2 137.58 49.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.826 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.421 ' O ' ' CG ' ' A' ' 43' ' ' TYR . 2.9 t80 -121.47 96.1 4.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.991 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 76.49 -110.58 3.07 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.471 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -89.94 -67.14 0.86 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.815 0.34 . . . . 0.0 110.881 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 57.0 m-80 -59.41 159.84 7.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 93.2 t -111.28 124.69 68.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.161 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.4 mt -76.94 131.34 38.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 69.8 mtp180 -131.7 151.36 78.48 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.645 0.736 . . . . 0.0 110.844 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 142.28 47.84 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.676 2.251 . . . . 0.0 112.369 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -176.8 -111.83 0.3 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.511 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -110.76 -38.38 5.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.871 0.367 . . . . 0.0 110.873 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.6 mmmt -75.76 -53.74 8.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -95.12 157.83 15.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.7 t -138.66 111.91 8.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.843 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.6 mt -107.08 114.87 29.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.921 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -122.12 112.32 18.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -91.56 126.62 36.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 60' ' ' GLY . 36.0 mm-40 -126.76 82.81 2.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 59' ' ' GLU . . . 34.42 89.65 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.451 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.45 ' N ' ' HB ' ' A' ' 35' ' ' VAL . . . 64.63 48.54 2.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.795 0.331 . . . . 0.0 111.1 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.657 ' C ' HD22 ' A' ' 63' ' ' LEU . 6.1 tmm? -163.21 137.01 5.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.705 ' N ' HD22 ' A' ' 63' ' ' LEU . 1.1 mm? -127.93 150.1 50.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.928 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -144.6 114.69 7.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.7 tp -111.43 104.7 13.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 43.0 t -94.43 121.42 45.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.164 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.1 t -113.74 110.27 31.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.3 mmm-85 -83.77 168.19 16.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.8 m120 59.47 50.47 7.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.754 HD11 ' HB2' ' A' ' 26' ' ' ALA . 11.9 mt -60.74 144.4 52.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 48.4 mmm-85 -145.17 150.75 46.29 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.626 0.727 . . . . 0.0 110.849 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -15.81 37.1 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.689 2.259 . . . . 0.0 112.301 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -89.26 -5.5 57.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.935 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -98.55 -12.04 21.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.4 m -45.46 107.65 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.819 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -150.06 -163.47 11.17 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.437 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 51.4 ttp180 -120.97 119.9 33.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.841 0.353 . . . . 0.0 110.881 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -87.91 163.39 16.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 44.3 t -158.31 125.11 4.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.879 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 2.9 t -102.02 112.53 25.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.1 t -85.74 127.65 34.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.841 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.554 ' CZ ' ' CB ' ' A' ' 36' ' ' ALA . 19.6 t80 -155.53 132.0 10.35 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 59.47 -113.34 5.1 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.495 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -116.74 -35.6 4.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.787 0.327 . . . . 0.0 110.924 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -81.81 152.1 27.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 66.8 m -143.08 137.06 28.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.135 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.587 ' OG1' ' HB1' ' A' ' 14' ' ' ALA . 13.2 t -122.47 156.91 33.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 54.2 p -146.95 151.15 36.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -140.75 151.58 44.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.058 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 95.3 m -99.33 138.72 36.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 31.0 tp -115.51 122.73 46.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.937 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 63.4 m -102.58 123.67 46.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.128 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 58.2 t -115.23 127.62 72.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.161 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.707 ' HB ' HD12 ' A' ' 21' ' ' LEU . 86.6 m -88.72 139.36 30.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -91.78 129.63 37.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.09 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 69.9 mt -43.69 145.01 1.24 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.628 0.728 . . . . 0.0 110.931 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 159.88 51.72 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.657 2.238 . . . . 0.0 112.321 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 37.2 m -98.76 -66.2 0.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.822 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 174.42 83.44 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.435 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -22.8 31.35 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.694 2.263 . . . . 0.0 112.323 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 32.8 t -43.73 -51.02 7.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.841 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 95.7 p -107.6 140.75 40.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.826 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.472 -179.962 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -133.54 146.03 50.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.859 0.361 . . . . 0.0 110.871 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.3 t -73.84 103.94 4.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.98 76.02 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.514 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.7 m -68.99 156.35 38.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.897 0.38 . . . . 0.0 110.853 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 t -117.38 100.87 7.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.894 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.05 -94.03 0.15 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.543 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 168.73 20.77 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.678 2.252 . . . . 0.0 112.348 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.576 HG21 ' HZ ' ' A' ' 82' ' ' PHE . 23.7 t -103.15 136.37 36.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -105.18 131.07 53.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.461 ' HB3' ' HB2' ' A' ' 14' ' ' ALA . 10.8 m-85 -66.68 76.21 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -52.16 -49.02 64.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.864 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.9 mp0 -134.35 78.14 1.74 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.461 ' HB2' ' HB3' ' A' ' 11' ' ' PHE . . . -77.6 -177.36 4.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 76.7 mt -45.09 169.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.936 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 47.5 pttt -159.11 162.94 36.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -50.17 140.14 13.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.849 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.462 ' HB2' HD12 ' A' ' 91' ' ' LEU . 45.4 mt -129.03 157.69 40.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -133.59 120.12 20.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.488 HG22 ' N ' ' A' ' 21' ' ' LEU . 3.3 p -154.59 157.27 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.184 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.6 HD23 ' O ' ' A' ' 22' ' ' GLU . 10.0 tt -112.53 142.04 45.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.6 ' O ' HD23 ' A' ' 21' ' ' LEU . 4.5 tm-20 -47.26 124.54 6.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 121.75 32.06 1.06 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.469 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -160.91 -143.65 3.74 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.512 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.404 ' C ' HD11 ' A' ' 70' ' ' LEU . . . -140.93 156.84 46.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.79 0.329 . . . . 0.0 111.102 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -112.08 131.86 55.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.074 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 94.2 m -117.61 96.17 5.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.518 HD13 HD23 ' A' ' 65' ' ' LEU . 5.0 mp -82.35 126.32 32.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.943 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.5 mmt180 -116.63 150.09 38.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -165.97 129.63 2.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.841 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.527 HG22 ' HG3' ' A' ' 62' ' ' MET . 46.1 t -110.24 133.23 56.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.126 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.551 HD13 ' CE2' ' A' ' 82' ' ' PHE . 3.6 mt -101.49 165.79 11.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.0 t -54.47 -20.08 6.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.5 t -171.61 148.26 2.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.594 ' N ' ' HB2' ' A' ' 61' ' ' ALA . 1.9 p -57.22 118.71 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.187 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.8 134.37 40.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.872 ' HB1' ' HA ' ' A' ' 38' ' ' PRO . . . -165.97 166.94 9.27 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.553 0.692 . . . . 0.0 111.112 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.872 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 53.7 Cg_endo -69.73 152.67 92.46 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.343 -0.037 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.0 m -100.84 175.59 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.151 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 65.8 tttt -123.66 126.39 46.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 30.5 m95 -119.27 105.11 11.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.97 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.414 ' HB3' HG23 ' A' ' 47' ' ' VAL . 23.7 p -129.43 146.94 51.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.401 ' O ' ' CG ' ' A' ' 43' ' ' TYR . 3.2 t80 -127.83 95.44 4.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 99.31 -102.02 2.49 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.468 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -111.77 -54.91 2.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.804 0.335 . . . . 0.0 110.854 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -74.12 167.96 20.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.414 HG23 ' HB3' ' A' ' 42' ' ' CYS . 6.7 p -107.16 139.51 28.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.156 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.4 mt -79.73 147.6 31.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 28.1 mtp85 -126.17 144.55 49.38 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.579 0.704 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.465 ' HB3' HD13 ' A' ' 56' ' ' LEU . 53.8 Cg_endo -69.73 153.7 68.73 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.644 2.23 . . . . 0.0 112.339 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 166.94 -142.19 7.42 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.507 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.79 -58.63 3.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.884 0.373 . . . . 0.0 110.86 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.0 tptp -51.16 -46.59 62.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -105.13 177.23 4.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.0 m -158.73 105.86 1.84 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.465 HD13 ' HB3' ' A' ' 50' ' ' PRO . 6.8 mp -102.2 118.86 37.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.878 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -132.12 120.89 22.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.444 ' OE1' ' HB2' ' A' ' 37' ' ' ALA . 52.4 tt0 -108.09 118.07 35.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.893 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -111.38 82.96 1.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 41.66 90.22 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.506 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.594 ' HB2' ' N ' ' A' ' 35' ' ' VAL . . . 58.98 52.77 6.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.822 0.344 . . . . 0.0 111.131 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.527 ' HG3' HG22 ' A' ' 31' ' ' VAL . 2.1 ttt -168.33 109.71 0.55 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -93.28 153.64 18.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -148.04 107.99 4.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.518 HD23 HD13 ' A' ' 28' ' ' LEU . 8.0 tp -107.37 112.5 25.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.938 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.4 t -100.39 126.9 53.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 97.1 t -117.41 106.9 20.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.132 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -79.14 155.86 28.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.463 ' O ' ' CD ' ' A' ' 71' ' ' ARG . 27.6 m-20 63.27 54.66 1.99 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.404 HD11 ' C ' ' A' ' 25' ' ' ALA . 17.8 mt -58.83 161.41 4.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.463 ' CD ' ' O ' ' A' ' 69' ' ' ASN . 0.0 OUTLIER -166.5 152.51 8.0 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.645 0.736 . . . . 0.0 110.868 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -13.05 34.19 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.732 2.288 . . . . 0.0 112.344 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -83.74 -8.54 59.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.922 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -89.95 -28.12 19.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 25.1 m -40.38 102.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -141.18 -133.66 2.95 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.552 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 53.8 ttp180 -129.13 106.53 8.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.798 0.333 . . . . 0.0 110.888 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -95.6 121.47 37.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.936 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 35.4 p -133.43 123.89 26.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 51.9 t -93.94 115.73 28.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 29.5 t -86.94 126.27 34.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.576 ' HZ ' HG21 ' A' ' 9' ' ' VAL . 6.6 t80 -161.34 138.96 9.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.849 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 61.18 -112.62 4.88 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.501 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 -122.86 -32.04 3.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.794 0.33 . . . . 0.0 110.859 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -81.43 159.49 24.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.8 m -138.99 124.41 19.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.15 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.1 t -97.91 159.73 14.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 52.9 p -151.74 132.79 14.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.82 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -142.5 172.87 12.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.113 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 28.7 m -133.35 143.24 48.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.462 HD12 ' HB2' ' A' ' 18' ' ' LEU . 54.5 tp -99.37 142.28 31.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 95.4 m -107.52 100.27 9.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.3 t -111.12 120.24 61.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.103 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 31.6 m -82.05 132.98 35.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.153 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.59 108.29 2.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.082 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.801 ' C ' HD12 ' A' ' 96' ' ' LEU . 0.4 OUTLIER -41.14 144.03 0.71 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.62 0.724 . . . . 0.0 110.918 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.53 ' N ' HD12 ' A' ' 96' ' ' LEU . 53.9 Cg_endo -69.7 93.23 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.692 2.261 . . . . 0.0 112.376 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 97' ' ' PRO . 29.9 m -36.99 120.08 0.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.812 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -159.28 -158.15 8.94 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.522 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 2.83 3.18 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.66 2.24 . . . . 0.0 112.32 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 18.9 t -71.85 87.34 0.99 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.823 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.3 t -49.86 -48.19 51.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.473 179.99 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.3 p -99.55 120.8 40.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.873 0.368 . . . . 0.0 110.841 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.5 m -86.83 169.11 12.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.6 161.03 22.36 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.477 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.4 p -72.24 -44.67 62.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.947 0.403 . . . . 0.0 110.898 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.2 m 62.54 42.1 8.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.887 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.73 174.35 22.11 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.513 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 149.6 67.15 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.735 2.29 . . . . 0.0 112.364 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 36.6 t -112.93 119.28 60.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.085 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.7 mmt180 -86.39 163.53 17.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -97.25 87.97 4.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.9 tp60 -62.55 -56.74 15.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -127.69 67.59 1.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.53 179.35 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.7 mt -61.79 169.76 2.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.5 mtpt -152.17 135.83 16.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.944 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -39.23 121.8 1.19 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.6 mp -109.79 164.51 12.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -135.09 124.03 24.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.853 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.8 t -148.74 152.02 12.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.179 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.7 HD12 ' HB ' ' A' ' 94' ' ' THR . 6.7 tp -96.33 141.56 29.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.953 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -55.5 126.04 23.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 129.2 18.4 1.68 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.496 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -153.55 -140.94 3.16 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.447 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -137.44 158.23 44.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.787 0.327 . . . . 0.0 111.097 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -117.42 121.44 41.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.8 m -102.09 111.7 24.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.19 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.5 mp -100.88 116.93 33.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 44.1 mtm180 -113.44 156.03 24.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.0 p -165.97 137.04 3.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 87.2 t -112.19 137.71 43.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.1 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.461 HD11 HD21 ' A' ' 63' ' ' LEU . 34.0 mt -99.91 168.85 9.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.8 t -63.09 -26.74 68.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.9 p -156.71 -177.54 6.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 41.5 t -83.63 91.68 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.141 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -117.49 142.76 46.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.058 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.841 ' HB1' ' HA ' ' A' ' 38' ' ' PRO . . . -173.88 166.98 2.53 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.608 0.718 . . . . 0.0 111.092 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.841 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 53.9 Cg_endo -69.69 176.48 32.2 Favored 'Cis proline' 0 C--N 1.342 0.187 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.384 -0.074 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.503 HG22 ' N ' ' A' ' 40' ' ' LYS . 7.6 p -115.25 157.54 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.503 ' N ' HG22 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -116.59 118.17 31.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.877 179.907 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.616 ' CE3' HD22 ' A' ' 65' ' ' LEU . 23.3 m95 -104.29 111.41 24.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.0 t -110.17 136.6 49.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.637 ' HB3' HD21 ' A' ' 48' ' ' LEU . 9.9 t80 -150.7 114.43 4.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 69.1 -122.8 13.47 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.5 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 17.0 m-20 -118.44 50.33 1.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.869 0.366 . . . . 0.0 110.929 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -171.57 160.43 5.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 75.2 t -99.29 119.18 46.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.162 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.637 HD21 ' HB3' ' A' ' 43' ' ' TYR . 33.7 mt -64.17 131.04 46.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 64.4 mtt180 -131.06 151.65 79.3 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.6 0.714 . . . . 0.0 110.838 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 137.79 36.3 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.678 2.252 . . . . 0.0 112.336 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -175.51 -110.16 0.25 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.492 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -112.55 -47.43 3.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.859 0.361 . . . . 0.0 110.866 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.6 tptt -72.49 -46.15 56.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.442 ' CE1' HG22 ' A' ' 67' ' ' VAL . 40.4 m-85 -112.12 162.32 15.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.942 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.3 t -146.8 123.77 11.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -109.59 113.63 26.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.7 tpp180 -132.31 142.42 49.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -117.96 138.08 52.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -133.46 86.08 2.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 44.1 78.8 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.442 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 62.52 48.22 4.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.81 0.338 . . . . 0.0 111.075 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 4.4 tmm? -158.79 119.12 3.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.461 HD21 HD11 ' A' ' 32' ' ' LEU . 0.7 OUTLIER -100.17 159.38 15.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.926 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.494 ' OE1' HG23 ' A' ' 66' ' ' VAL . 0.7 OUTLIER -153.36 125.14 7.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.616 HD22 ' CE3' ' A' ' 41' ' ' TRP . 13.6 tp -120.56 107.25 12.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.494 HG23 ' OE1' ' A' ' 64' ' ' GLU . 24.3 t -83.3 143.36 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.132 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.442 HG22 ' CE1' ' A' ' 54' ' ' TYR . 60.8 t -134.56 106.02 7.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -94.69 154.73 17.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER 67.86 51.74 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 11.6 mt -54.99 151.28 9.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 68.3 mtm180 -155.47 154.93 29.14 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.593 0.711 . . . . 0.0 110.854 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -15.12 37.02 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.688 2.259 . . . . 0.0 112.327 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -85.9 -4.82 59.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -86.22 -33.69 20.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 59.4 m -41.68 100.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -140.92 -131.37 2.7 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.461 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.414 ' HB2' ' NH1' ' A' ' 77' ' ' ARG . 6.3 ttm105 -129.55 105.19 7.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.859 0.361 . . . . 0.0 110.813 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.631 ' CE2' ' CE1' ' A' ' 43' ' ' TYR . 49.5 m-85 -97.03 138.06 35.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.1 p -156.93 151.74 25.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.805 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 2.1 t -124.72 114.2 18.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.873 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.7 t -83.49 132.4 34.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.832 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -155.77 115.83 3.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 66.02 -115.14 7.19 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.532 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 20.0 p-10 -110.51 -28.92 8.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.755 0.312 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 24.1 mm100 -94.64 144.01 25.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.917 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 53.9 m -142.3 137.16 30.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.169 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 9.0 t -104.38 155.36 18.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.159 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.5 m -146.41 120.94 9.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.839 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -127.25 172.37 10.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.095 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 28.0 m -126.71 150.58 48.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.129 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 22.3 tp -115.98 130.31 56.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 97.1 m -95.77 124.27 39.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 66.4 t -129.42 112.14 24.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.7 ' HB ' HD12 ' A' ' 21' ' ' LEU . 4.4 m -95.07 132.16 40.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.169 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.5 107.95 5.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.105 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.786 ' C ' HD12 ' A' ' 96' ' ' LEU . 0.4 OUTLIER -52.26 144.68 21.47 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.618 0.723 . . . . 0.0 110.897 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.548 ' N ' HD12 ' A' ' 96' ' ' LEU . 53.0 Cg_endo -69.78 97.31 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.628 2.219 . . . . 0.0 112.34 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.4 m -71.98 124.11 24.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.829 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -155.16 -158.24 8.64 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.469 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -25.07 28.79 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.683 2.255 . . . . 0.0 112.365 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 57.2 p -66.27 -58.55 5.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.85 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 80.0 p -114.21 44.2 1.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.825 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.455 -179.967 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 76.9 p -142.7 167.94 20.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.875 0.369 . . . . 0.0 110.823 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.7 m -98.35 140.57 32.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.61 -168.97 29.6 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.473 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.2 m -135.86 177.92 7.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.916 0.389 . . . . 0.0 110.844 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t 41.02 38.91 0.75 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.825 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.1 -165.0 8.87 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.438 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 176.47 6.72 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.721 2.28 . . . . 0.0 112.312 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.594 HG21 ' CZ ' ' A' ' 82' ' ' PHE . 3.4 t -126.59 159.99 35.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.155 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.41 ' N ' HG12 ' A' ' 9' ' ' VAL . 4.7 ttt180 -133.48 144.81 49.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.736 ' HB3' ' HB2' ' A' ' 14' ' ' ALA . 10.8 m-85 -73.11 83.11 1.3 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 56.5 tp60 -56.64 -52.58 64.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 14' ' ' ALA . 5.8 tt0 -127.51 54.15 1.7 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.822 ' HB1' ' OG1' ' A' ' 87' ' ' THR . . . -44.09 169.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.082 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.619 HD22 ' HB3' ' A' ' 28' ' ' LEU . 43.3 mt -48.25 165.49 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -142.6 172.02 13.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -68.73 127.06 31.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.834 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.453 ' CD1' ' HG ' ' A' ' 28' ' ' LEU . 10.9 mt -126.95 159.2 34.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.933 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -136.44 134.85 38.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 21' ' ' LEU . 86.6 t -145.76 152.48 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.136 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.606 HD13 ' N ' ' A' ' 22' ' ' GLU . 0.3 OUTLIER -79.19 128.93 33.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.606 ' N ' HD13 ' A' ' 21' ' ' LEU . 17.6 tt0 -41.55 153.82 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.68 7.22 79.52 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.508 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.64 -146.7 9.97 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.482 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -137.89 151.66 48.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.826 0.346 . . . . 0.0 111.089 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -110.79 140.43 45.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.09 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.4 m -117.77 112.85 20.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.172 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.619 ' HB3' HD22 ' A' ' 15' ' ' LEU . 5.6 mp -115.5 127.09 55.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.951 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.5 ptt180 -141.17 132.06 25.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.814 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.832 ' SG ' HD23 ' A' ' 63' ' ' LEU . 6.5 p -120.99 -179.57 4.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.883 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 94.6 t -146.26 117.68 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.737 HD22 ' N ' ' A' ' 32' ' ' LEU . 1.1 mm? -86.18 158.25 19.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.9 t -58.92 -19.58 43.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.3 m -159.91 116.84 2.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.829 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.417 ' HB ' ' N ' ' A' ' 61' ' ' ALA . 1.9 p -38.73 134.59 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.113 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.636 ' HB3' ' CZ ' ' A' ' 82' ' ' PHE . . . -159.65 141.89 13.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.106 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.882 ' HB1' ' HA ' ' A' ' 38' ' ' PRO . . . -163.47 167.01 11.95 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.622 0.725 . . . . 0.0 111.091 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.882 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 53.8 Cg_endo -69.77 156.68 92.7 Favored 'Cis proline' 0 C--N 1.342 0.215 0 C-N-CA 122.645 -1.815 . . . . 0.0 112.348 -0.018 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.5 t -106.48 153.87 7.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.063 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.0 tttp -109.71 137.53 47.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.577 ' CD1' HD23 ' A' ' 56' ' ' LEU . 15.4 m95 -111.15 161.19 16.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.92 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.2 m -154.13 135.88 14.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.907 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.403 ' O ' ' N ' ' A' ' 45' ' ' ASN . 7.0 t80 -130.47 102.92 6.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.944 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 61.43 -81.14 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.474 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 43' ' ' TYR . 2.3 m-80 -128.6 -51.62 1.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.859 0.362 . . . . 0.0 110.882 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 31.3 m-20 -69.16 142.93 54.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 62.3 t -86.4 121.06 37.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 95.8 mt -66.85 137.79 56.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 38.5 mtt180 -138.72 150.26 65.13 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.632 0.729 . . . . 0.0 110.843 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 147.69 63.08 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.662 2.241 . . . . 0.0 112.321 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 176.93 -132.09 1.97 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.451 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -95.8 -39.98 9.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.83 0.348 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.7 mmmm -76.2 -47.9 22.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -99.45 176.52 5.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.92 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.9 t -162.78 116.79 1.71 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.577 HD23 ' CD1' ' A' ' 41' ' ' TRP . 6.8 mp -115.69 131.37 56.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.4 ttt180 -144.03 136.04 26.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.641 ' OE1' HD13 ' A' ' 63' ' ' LEU . 3.4 tp60 -107.67 128.95 55.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -131.7 88.24 2.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 38.73 85.02 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.474 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.417 ' N ' ' HB ' ' A' ' 35' ' ' VAL . . . 59.06 41.3 20.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.757 0.313 . . . . 0.0 111.069 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.764 ' C ' HD22 ' A' ' 63' ' ' LEU . 2.5 ttt -149.63 140.26 22.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.832 HD23 ' SG ' ' A' ' 30' ' ' CYS . 0.6 OUTLIER -122.92 161.22 24.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.909 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -152.34 107.31 3.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.503 HD22 ' CZ3' ' A' ' 41' ' ' TRP . 8.4 tp -110.8 110.88 21.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.944 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 83.4 t -98.18 120.49 47.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.102 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 42.5 t -115.68 123.35 70.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.157 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -102.75 167.95 9.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 44.1 m-20 58.48 43.95 18.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.46 ' O ' ' CG ' ' A' ' 71' ' ' ARG . 24.9 mt -51.58 174.87 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.46 ' CG ' ' O ' ' A' ' 70' ' ' LEU . 53.2 mtt85 -162.8 145.02 8.15 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.612 0.72 . . . . 0.0 110.889 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -3.1 11.36 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.613 2.209 . . . . 0.0 112.361 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 50.4 mm-40 -100.56 -23.41 14.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 75' ' ' SER . 0.6 OUTLIER -68.4 -30.96 69.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 74' ' ' ASP . 65.7 m -37.53 99.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.836 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -145.5 -137.29 3.09 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.466 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 52.2 ttp180 -128.01 113.67 16.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.777 0.322 . . . . 0.0 110.913 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -91.56 160.22 15.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.476 ' CB ' ' O ' ' A' ' 87' ' ' THR . 58.5 m -154.06 167.93 28.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.88 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 4.3 t -145.71 127.86 15.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 58.2 m -95.09 125.83 40.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.636 ' CZ ' ' HB3' ' A' ' 36' ' ' ALA . 11.6 t80 -164.13 135.54 4.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.865 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 49.28 42.06 32.3 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.471 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 62.45 26.27 15.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.801 0.334 . . . . 0.0 110.921 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -124.75 136.73 54.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 30.1 m -123.77 118.33 26.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.154 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.822 ' OG1' ' HB1' ' A' ' 14' ' ' ALA . 6.2 t -95.57 161.16 14.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.172 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 95.7 p -138.9 138.96 37.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.553 ' HB2' ' HB2' ' A' ' 15' ' ' LEU . . . -144.54 178.32 8.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.0 m -129.74 150.87 50.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.174 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 22.5 tp -135.14 109.51 8.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 30.3 m -91.47 121.66 33.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 99.8 t -119.79 114.93 45.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.1 m -82.25 132.88 35.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.19 132.95 44.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.061 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.5 HD12 ' OE2' ' A' ' 22' ' ' GLU . 47.0 mt -39.53 145.38 0.43 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.606 0.717 . . . . 0.0 110.91 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 172.36 12.8 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.692 2.261 . . . . 0.0 112.335 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 37.0 t -117.5 -40.69 3.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.822 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -163.6 -159.03 10.34 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.497 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 101' ' ' SER . 53.9 Cg_endo -69.8 -39.65 6.18 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.676 2.25 . . . . 0.0 112.329 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 100' ' ' PRO . 14.4 m -34.56 -61.35 0.39 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.4 t -91.36 104.43 16.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.473 -179.986 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.3 t 59.34 42.13 18.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.93 0.395 . . . . 0.0 110.886 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.0 t -92.63 -47.63 7.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.89 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.49 -114.4 3.56 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.485 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -83.37 155.47 23.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.841 0.353 . . . . 0.0 110.885 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.5 p -107.62 162.6 13.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.92 76.84 1.32 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.482 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 156.39 63.44 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.709 2.273 . . . . 0.0 112.312 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.0 t -58.7 125.27 14.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.128 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.2 mtt-85 -109.17 178.57 4.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.405 ' HB3' ' HB2' ' A' ' 14' ' ' ALA . 11.4 m-85 -108.01 87.09 2.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -65.3 -57.88 7.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.969 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -123.28 60.85 1.05 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.619 ' HB1' ' OG1' ' A' ' 87' ' ' THR . . . -51.68 -176.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.121 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 32.0 mt -69.14 157.68 36.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -138.7 167.31 22.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.887 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -58.46 140.19 54.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.3 mt -124.0 146.9 48.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -126.38 111.87 14.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.1 t -143.55 153.94 16.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.161 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.804 HD12 ' HB ' ' A' ' 94' ' ' THR . 5.6 tp -91.03 134.51 34.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.502 ' C ' ' CD ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER -45.21 165.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.914 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.88 18.17 79.53 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.529 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -132.97 -143.23 4.99 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.502 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.48 ' HB2' HH21 ' A' ' 68' ' ' ARG . . . -137.45 158.92 43.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.799 0.333 . . . . 0.0 111.122 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -124.93 119.21 28.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' THR . . . . . 0.613 HG23 ' OE2' ' A' ' 64' ' ' GLU . 22.6 m -111.82 100.38 8.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.138 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.6 mp -84.1 153.69 23.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.914 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 18.2 mtm180 -138.94 144.22 38.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.3 p -162.66 124.91 2.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 43.5 t -103.87 129.29 56.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.148 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 33' ' ' SER . 5.6 mt -88.89 134.82 33.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.955 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 32' ' ' LEU . 3.9 m -37.4 -39.76 0.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.813 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.2 m -133.22 172.4 12.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.866 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.732 HG22 ' HB2' ' A' ' 61' ' ' ALA . 37.4 t -91.98 110.67 23.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.156 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.463 ' HB3' ' CE2' ' A' ' 82' ' ' PHE . . . -140.25 145.63 37.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.865 ' HB1' ' HA ' ' A' ' 38' ' ' PRO . . . -170.4 166.98 4.81 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.553 0.692 . . . . 0.0 111.134 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.865 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 53.5 Cg_endo -69.74 169.75 61.76 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.724 -1.782 . . . . 0.0 112.325 -0.014 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.54 HG13 ' CD1' ' A' ' 82' ' ' PHE . 21.8 t -113.18 160.82 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.505 ' N ' HG12 ' A' ' 39' ' ' VAL . 28.1 tptt -108.76 144.2 36.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 31.0 m95 -128.81 102.85 6.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.938 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 16.7 p -116.4 131.09 57.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.589 ' CD1' ' CD1' ' A' ' 78' ' ' TYR . 5.1 t80 -135.8 113.79 11.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.75 -93.37 0.18 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.461 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 37.3 t-20 -127.94 -59.74 1.18 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.861 0.362 . . . . 0.0 110.943 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -65.17 141.34 58.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 13.2 t -85.73 134.06 28.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.8 mt -80.58 122.61 27.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -125.57 152.96 72.65 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.553 0.692 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 129.53 17.8 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.67 2.247 . . . . 0.0 112.336 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -161.86 -129.04 0.99 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.485 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -98.42 -44.27 6.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.907 0.384 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.589 ' HE2' ' CE1' ' A' ' 54' ' ' TYR . 0.3 OUTLIER -69.36 -59.63 2.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.589 ' CE1' ' HE2' ' A' ' 53' ' ' LYS . 23.1 m-85 -86.54 162.04 18.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.0 t -141.08 115.28 9.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -102.24 124.75 48.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 40.1 mtp85 -134.68 128.08 32.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -118.57 133.63 55.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -134.79 84.63 2.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 42.35 94.25 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.504 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.732 ' HB2' HG22 ' A' ' 35' ' ' VAL . . . 57.46 30.28 18.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.769 0.319 . . . . 0.0 111.091 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 2.6 ttp -135.7 143.42 45.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.935 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.44 HD21 HG21 ' A' ' 39' ' ' VAL . 5.6 mt -132.44 151.54 51.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.796 ' OE1' HG23 ' A' ' 66' ' ' VAL . 1.3 tm-20 -150.18 118.56 6.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.6 tp -113.39 119.56 38.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.796 HG23 ' OE1' ' A' ' 64' ' ' GLU . 97.9 t -102.78 130.1 53.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 6.7 t -118.4 116.74 52.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.104 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.48 HH21 ' HB2' ' A' ' 25' ' ' ALA . 0.6 OUTLIER -93.4 158.53 15.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.8 m120 62.3 54.68 2.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 12.4 mt -56.43 149.24 17.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 21.3 mtt180 -155.59 147.45 17.19 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.615 0.721 . . . . 0.0 110.864 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 -4.49 14.19 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.653 2.235 . . . . 0.0 112.319 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -98.09 -11.92 22.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 75' ' ' SER . 21.8 t0 -82.94 -31.42 27.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 74' ' ' ASP . 69.4 m -35.34 103.06 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -136.5 -145.8 5.08 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.477 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.405 ' HB3' ' NH1' ' A' ' 77' ' ' ARG . 10.2 ttp-105 -119.54 100.5 7.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.822 0.344 . . . . 0.0 110.84 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.589 ' CD1' ' CD1' ' A' ' 43' ' ' TYR . 70.6 m-85 -91.24 106.57 18.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 33.6 p -122.4 134.69 54.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.853 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 3.2 t -102.26 115.49 30.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.933 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 7.2 t -83.0 124.9 30.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.54 ' CD1' HG13 ' A' ' 39' ' ' VAL . 1.6 t80 -158.25 123.9 4.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.843 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 64.58 -132.04 37.91 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.464 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -99.79 -23.38 15.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.814 0.34 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -93.69 150.01 20.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 50.7 m -137.1 121.75 18.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.619 ' OG1' ' HB1' ' A' ' 14' ' ' ALA . 8.3 t -91.05 159.57 16.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.166 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.6 t -150.23 140.89 22.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -147.63 169.0 20.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.144 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 51.4 m -130.75 136.56 48.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.145 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.3 tp -102.75 130.91 49.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 88.2 m -96.94 125.85 41.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.111 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 58.7 t -123.26 111.5 29.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.804 ' HB ' HD12 ' A' ' 21' ' ' LEU . 29.5 m -83.11 130.94 35.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 96' ' ' LEU . . . -83.48 120.91 26.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.107 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.448 ' C ' ' O ' ' A' ' 95' ' ' ALA . 31.1 mt -34.68 150.19 0.08 OUTLIER Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.649 0.738 . . . . 0.0 110.866 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 127.7 14.97 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.688 2.259 . . . . 0.0 112.355 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 33.8 t -79.65 124.64 28.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -143.67 150.05 22.03 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.491 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 101' ' ' SER . 53.5 Cg_endo -69.75 95.2 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.728 2.285 . . . . 0.0 112.318 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 100' ' ' PRO . 3.2 t 37.83 46.05 0.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 22.8 t -88.28 -54.72 4.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.835 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.513 -179.978 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.1 m 54.14 42.28 31.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.883 0.373 . . . . 0.0 110.853 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.1 m -93.49 -46.53 7.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.78 -133.59 7.13 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.484 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -124.58 106.1 9.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.828 0.346 . . . . 0.0 110.864 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.2 p -112.51 165.44 12.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.849 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.3 -172.66 37.65 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.481 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -179.2 2.74 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.702 2.268 . . . . 0.0 112.338 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 37.6 t -60.54 134.69 25.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 67.3 mtt180 -113.89 177.49 4.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -108.9 79.3 1.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.7 tp60 -59.09 -50.74 72.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -133.31 68.03 1.51 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.66 -175.12 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.133 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.537 HD22 ' HB3' ' A' ' 28' ' ' LEU . 53.4 mt -54.79 168.33 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.949 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -149.27 174.07 12.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -71.23 114.68 9.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.5 mp -106.45 156.19 18.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.951 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -137.25 113.42 9.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.2 t -132.02 154.86 40.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.091 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.536 HD12 ' HB ' ' A' ' 94' ' ' THR . 5.8 tp -93.56 145.84 24.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.933 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -58.63 120.04 8.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 123.85 31.92 0.91 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.473 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -155.76 -144.4 3.91 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.518 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -135.05 155.2 51.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 0.0 111.097 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -113.23 120.56 41.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.083 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.2 m -110.72 109.48 19.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.158 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.66 HD13 HD23 ' A' ' 65' ' ' LEU . 5.4 mp -89.95 121.97 32.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 71.0 mtm180 -112.97 151.84 30.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 23.9 p -169.98 131.1 1.01 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 95.1 t -106.28 122.84 60.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.67 HD11 HD21 ' A' ' 63' ' ' LEU . 4.8 mt -87.35 146.99 25.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 83.2 p -45.92 -41.49 11.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.844 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.5 m -130.81 159.56 36.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.646 ' HA ' ' HB2' ' A' ' 61' ' ' ALA . 25.4 t -80.0 99.43 3.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.151 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -132.3 147.89 52.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.08 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.865 ' HB1' ' HA ' ' A' ' 38' ' ' PRO . . . -171.29 166.99 4.11 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.625 0.726 . . . . 0.0 111.06 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.865 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 53.9 Cg_endo -69.72 177.76 27.65 Favored 'Cis proline' 0 C--N 1.342 0.205 0 C-N-CA 122.713 -1.786 . . . . 0.0 112.337 -0.047 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.51 HG11 ' CD1' ' A' ' 63' ' ' LEU . 2.0 p -114.98 146.88 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.117 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.1 tttt -104.15 118.83 37.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.437 ' CD1' ' CD2' ' A' ' 56' ' ' LEU . 71.1 m95 -93.17 159.87 15.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.8 m -150.46 119.82 6.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.667 ' HB3' HD11 ' A' ' 48' ' ' LEU . 11.9 t80 -147.29 107.99 4.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 40.79 -96.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.506 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.409 ' N ' ' O ' ' A' ' 43' ' ' TYR . 12.2 p30 -47.44 169.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.831 0.348 . . . . 0.0 110.923 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -46.94 169.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.8 p -44.23 142.14 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.121 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.667 HD11 ' HB3' ' A' ' 43' ' ' TYR . 51.5 mt -89.28 151.05 22.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.475 ' HB3' ' CZ ' ' A' ' 49' ' ' ARG . 12.2 mtp-105 -132.2 146.42 61.56 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.588 0.708 . . . . 0.0 110.898 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 147.14 62.14 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.719 2.279 . . . . 0.0 112.376 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -175.45 -132.34 1.58 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.46 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -91.3 -50.84 5.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.894 0.378 . . . . 0.0 110.883 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.6 tptt -58.34 -61.27 2.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -89.31 173.45 8.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.943 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.0 m -152.43 112.55 4.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.437 ' CD2' ' CD1' ' A' ' 41' ' ' TRP . 5.5 mp -111.36 134.11 53.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -140.9 145.05 35.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 36.2 tp60 -125.55 132.64 52.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 60' ' ' GLY . 3.8 tm-20 -160.11 133.53 6.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.822 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 59' ' ' GLU . . . 34.35 62.45 0.5 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.502 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.646 ' HB2' ' HA ' ' A' ' 35' ' ' VAL . . . 47.8 47.88 17.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.816 0.341 . . . . 0.0 111.096 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -143.6 127.08 16.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.67 HD21 HD11 ' A' ' 32' ' ' LEU . 2.3 mm? -104.9 160.71 14.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.906 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -152.39 115.52 4.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.66 HD23 HD13 ' A' ' 28' ' ' LEU . 13.6 tp -115.98 119.04 34.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 69.2 t -102.21 147.41 8.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 65.2 t -136.31 106.49 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.089 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 20.3 mmm-85 -84.7 161.13 20.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 54.04 53.67 10.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 34.9 mt -55.63 -177.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.945 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -171.68 150.62 2.66 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.61 0.719 . . . . 0.0 110.888 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -2.93 10.98 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.651 2.234 . . . . 0.0 112.368 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -114.19 34.45 4.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -118.88 -21.91 7.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 44.8 m -56.9 99.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -130.06 -131.19 3.31 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.484 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 31.5 ttp180 -128.45 100.77 5.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.846 0.355 . . . . 0.0 110.889 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -89.09 138.58 31.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 9.7 t -141.91 150.06 41.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.818 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.3 t -127.23 113.59 16.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.9 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.9 t -84.01 129.24 34.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.413 ' HD1' HG23 ' A' ' 39' ' ' VAL . 4.7 t80 -153.28 120.13 5.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 52.93 -112.98 2.48 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.539 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -119.05 35.8 4.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.756 0.312 . . . . 0.0 110.874 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -135.65 150.03 49.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.946 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 24.6 m -141.99 117.08 10.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.131 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.8 t -106.88 152.18 24.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.167 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 52.4 p -140.25 140.19 35.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -141.75 174.57 10.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.089 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 33.9 m -133.33 141.42 47.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.133 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 54.2 tp -109.46 149.81 29.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 54.7 m -119.81 128.12 53.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.139 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 61.6 t -130.91 117.41 37.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.159 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.536 ' HB ' HD12 ' A' ' 21' ' ' LEU . 27.6 m -85.73 134.34 33.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.132 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.37 110.05 5.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.669 ' C ' HD12 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -52.75 145.4 21.96 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.609 0.719 . . . . 0.0 110.923 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.522 ' N ' HD12 ' A' ' 96' ' ' LEU . 53.6 Cg_endo -69.77 85.97 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.713 2.275 . . . . 0.0 112.295 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.424 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 1.9 t -96.08 146.97 24.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.832 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 127.48 -65.05 0.58 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.514 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.424 ' HD2' ' C ' ' A' ' 98' ' ' SER . 54.0 Cg_endo -69.75 131.13 20.6 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.708 2.272 . . . . 0.0 112.332 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.2 m -90.15 -44.02 10.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 13.0 m -108.33 108.25 19.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.506 179.994 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 m -123.58 -51.61 1.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.856 0.36 . . . . 0.0 110.814 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -77.52 100.19 5.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.97 135.26 12.33 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.485 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.1 t -116.88 -57.15 2.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.91 0.386 . . . . 0.0 110.864 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.4 m -101.59 116.11 32.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.61 84.5 0.65 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.476 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 176.25 7.01 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.646 2.231 . . . . 0.0 112.356 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 92.8 t -116.68 136.11 54.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 79.1 mtt180 -100.8 150.0 23.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.696 ' HB3' ' HB2' ' A' ' 14' ' ' ALA . 11.0 m-85 -82.8 75.55 9.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -49.66 -50.37 43.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -131.55 65.41 1.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.827 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.696 ' HB2' ' HB3' ' A' ' 11' ' ' PHE . . . -59.21 -175.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.606 HD22 ' HB3' ' A' ' 28' ' ' LEU . 8.6 mt -63.82 -175.84 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -164.77 159.17 18.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -53.26 147.44 10.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.418 HD11 ' HG ' ' A' ' 28' ' ' LEU . 4.6 mt -135.87 138.75 42.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -112.67 115.82 29.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.499 ' CG1' HD11 ' A' ' 91' ' ' LEU . 1.0 OUTLIER -145.04 147.25 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.155 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.663 HD12 ' HB ' ' A' ' 94' ' ' THR . 9.4 tp -86.84 144.73 26.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.949 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -52.29 147.06 8.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.48 35.54 6.9 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.504 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -152.67 -147.19 4.54 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.508 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -139.57 156.53 46.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.786 0.327 . . . . 0.0 111.082 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -119.07 134.0 55.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.083 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.1 m -115.47 113.47 23.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.108 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.606 ' HB3' HD22 ' A' ' 15' ' ' LEU . 5.5 mp -96.97 134.61 40.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.8 mmm-85 -127.56 138.41 52.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.677 ' O ' HD23 ' A' ' 63' ' ' LEU . 29.5 p -156.03 125.4 6.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.475 HG13 ' O ' ' A' ' 61' ' ' ALA . 54.7 t -109.62 129.98 63.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.708 ' H ' HD22 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -93.4 170.97 9.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.8 t -58.44 -28.9 65.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.3 t -156.74 147.79 22.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.855 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.566 HG23 ' H ' ' A' ' 61' ' ' ALA . 7.0 p -65.29 108.14 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.165 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.61 ' HB3' ' CE1' ' A' ' 82' ' ' PHE . . . -128.08 106.66 9.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.081 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.865 ' HB1' ' HA ' ' A' ' 38' ' ' PRO . . . -125.26 167.0 17.55 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.607 0.717 . . . . 0.0 111.098 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.865 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 53.6 Cg_endo -69.74 170.59 57.61 Favored 'Cis proline' 0 C--N 1.342 0.214 0 C-N-CA 122.667 -1.805 . . . . 0.0 112.37 -0.037 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.575 HG13 ' CD2' ' A' ' 82' ' ' PHE . 2.6 t -110.5 154.69 12.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.15 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.55 115.51 27.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 38.9 m95 -99.03 148.79 23.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.925 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.3 p -158.78 131.95 7.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.765 ' CE1' ' CE2' ' A' ' 78' ' ' TYR . 1.8 t80 -138.43 105.92 5.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.895 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 83.68 -107.84 2.99 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.529 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -115.33 -54.09 2.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.843 0.354 . . . . 0.0 110.833 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -70.92 157.38 38.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 42.1 t -91.75 141.05 15.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.534 HD11 ' CB ' ' A' ' 43' ' ' TYR . 15.9 mt -86.37 122.77 30.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 80.5 mtm180 -117.41 149.19 44.27 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.595 0.712 . . . . 0.0 110.929 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.593 ' HD3' HD12 ' A' ' 56' ' ' LEU . 53.5 Cg_endo -69.84 143.33 50.09 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.691 2.261 . . . . 0.0 112.296 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 169.28 -141.95 7.02 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.492 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -84.15 -48.86 9.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.919 0.39 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.8 tptt -64.74 -45.5 86.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -119.73 150.33 40.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.97 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.9 t -125.62 134.65 51.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.593 HD12 ' HD3' ' A' ' 50' ' ' PRO . 70.0 mt -132.93 109.44 9.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -128.2 135.34 49.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.531 ' OE1' ' HB2' ' A' ' 37' ' ' ALA . 1.0 OUTLIER -116.43 145.78 43.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.911 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.498 ' O ' ' CB ' ' A' ' 62' ' ' MET . 6.6 mm-40 -151.09 105.3 3.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 59' ' ' GLU . . . 34.35 75.58 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.511 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.566 ' H ' HG23 ' A' ' 35' ' ' VAL . . . 59.97 41.75 17.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.764 0.316 . . . . 0.0 111.12 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.498 ' CB ' ' O ' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -130.77 129.87 43.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.695 HD21 HD21 ' A' ' 32' ' ' LEU . 3.1 mm? -111.24 148.94 31.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.482 ' OE1' HG23 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -156.27 112.04 2.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 179.928 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.3 tp -123.07 122.21 37.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.482 HG23 ' OE1' ' A' ' 64' ' ' GLU . 52.6 t -107.69 122.14 61.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.139 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 31.2 t -113.82 104.42 16.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 26.2 mtt-85 -77.85 168.21 20.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 15.5 m120 58.5 54.23 5.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 12.5 mt -62.06 125.37 23.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.7 mmt85 -122.51 154.15 62.78 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.619 0.723 . . . . 0.0 110.871 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 0.23 5.95 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.675 2.25 . . . . 0.0 112.333 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -101.73 -24.67 14.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.5 -36.14 82.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.6 m -43.22 98.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.834 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -144.12 -140.97 3.7 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.556 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 24.8 ttm-85 -117.77 100.91 7.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.844 0.354 . . . . 0.0 110.843 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.765 ' CE2' ' CE1' ' A' ' 43' ' ' TYR . 51.1 m-85 -91.66 131.43 37.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 95.0 p -136.96 149.3 47.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 4.0 t -128.22 130.15 47.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.849 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 50.3 m -83.51 122.81 29.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.848 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.61 ' CE1' ' HB3' ' A' ' 36' ' ' ALA . 5.3 t80 -145.02 122.1 11.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.881 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 60.56 -103.52 0.51 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.463 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -123.7 -34.19 3.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.767 0.318 . . . . 0.0 110.868 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -84.32 158.53 21.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 85.9 m -129.9 136.26 49.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.461 ' OG1' ' HB1' ' A' ' 14' ' ' ALA . 9.7 t -96.19 161.6 13.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.138 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.4 t -155.26 134.0 12.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -145.42 174.61 10.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.098 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 62.9 m -132.4 145.66 51.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.15 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.652 HD12 ' H ' ' A' ' 92' ' ' THR . 20.7 tp -111.99 146.25 38.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.652 ' H ' HD12 ' A' ' 91' ' ' LEU . 70.9 m -114.89 120.91 41.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.165 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 60.9 t -128.76 114.47 33.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.138 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.663 ' HB ' HD12 ' A' ' 21' ' ' LEU . 58.7 m -93.34 136.33 33.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.158 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.82 121.7 20.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.073 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 8.7 mt -47.47 149.55 1.96 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.625 0.726 . . . . 0.0 110.93 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 144.96 56.01 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.667 2.245 . . . . 0.0 112.335 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.2 m -93.1 -44.34 8.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -101.21 -93.53 2.18 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.499 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 122.81 9.51 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.69 2.26 . . . . 0.0 112.396 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.2 m -90.38 171.9 9.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.86 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 57.8 p -167.72 169.99 11.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.446 179.97 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.7 t -46.91 121.77 3.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.892 0.377 . . . . 0.0 110.896 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.4 m -127.23 -46.83 1.48 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.06 63.37 0.44 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.519 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.7 t -76.6 137.7 39.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.943 0.401 . . . . 0.0 110.832 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.6 m -93.76 -58.06 2.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.848 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.11 146.59 8.42 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.454 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 170.18 17.19 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.668 2.245 . . . . 0.0 112.315 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.508 HG13 ' HB3' ' A' ' 33' ' ' SER . 6.2 t -137.46 121.58 22.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 61.0 mtm-85 -93.43 173.32 7.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.634 ' HB3' ' HB2' ' A' ' 14' ' ' ALA . 8.0 m-85 -95.38 92.96 6.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -59.96 -56.46 21.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -128.13 56.1 1.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.848 ' HB1' ' OG1' ' A' ' 87' ' ' THR . . . -43.85 168.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.119 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.925 HD22 HD23 ' A' ' 28' ' ' LEU . 12.0 mt -45.45 152.63 0.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.3 mtpt -136.48 179.93 6.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.43 135.57 45.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.835 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.8 mt -127.68 152.63 47.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -132.73 118.62 19.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.5 t -138.16 153.83 27.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.17 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.581 HD13 ' N ' ' A' ' 22' ' ' GLU . 0.2 OUTLIER -80.62 129.81 34.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.912 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.581 ' N ' HD13 ' A' ' 21' ' ' LEU . 11.7 tt0 -46.82 157.59 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.41 ' N ' ' CG ' ' A' ' 22' ' ' GLU . . . 80.05 27.62 52.37 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.512 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -143.42 -142.48 3.97 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.472 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -133.95 153.96 51.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.795 0.331 . . . . 0.0 111.098 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -110.79 111.56 22.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.085 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 31.7 m -93.16 99.5 12.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.925 HD23 HD22 ' A' ' 15' ' ' LEU . 4.7 mp -83.69 146.0 28.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.934 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 60.1 mtt180 -140.73 152.83 45.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -166.14 126.74 1.74 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 48.6 t -103.16 138.13 28.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.096 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.43 HD23 ' CE2' ' A' ' 82' ' ' PHE . 4.3 mp -108.38 -177.86 3.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.508 ' HB3' HG13 ' A' ' 9' ' ' VAL . 7.9 t -67.38 -27.62 67.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.8 m -159.63 179.52 8.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.7 t -77.8 104.5 5.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.141 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.433 ' CB ' ' CZ ' ' A' ' 82' ' ' PHE . . . -126.62 136.08 52.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.114 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.879 ' HB1' ' HA ' ' A' ' 38' ' ' PRO . . . -174.74 166.96 2.12 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.501 0.667 . . . . 0.0 111.121 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.879 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 54.4 Cg_endo -69.75 166.94 72.75 Favored 'Cis proline' 0 C--O 1.231 0.157 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.399 -0.041 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.568 HG21 HD21 ' A' ' 63' ' ' LEU . 3.2 t -116.93 146.66 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.152 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 34.7 tttp -112.81 133.75 54.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.452 ' HB3' HD12 ' A' ' 48' ' ' LEU . 17.8 m95 -107.12 161.22 14.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 71.7 m -142.58 121.13 12.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.706 ' HB2' HD11 ' A' ' 48' ' ' LEU . 27.5 t80 -139.13 126.48 21.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 57.19 -102.86 0.24 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.474 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -126.84 -62.86 1.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.837 0.351 . . . . 0.0 110.858 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -62.55 99.9 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 39.2 t -41.22 138.66 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.082 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.706 HD11 ' HB2' ' A' ' 43' ' ' TYR . 31.0 mt -76.97 125.21 28.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.467 ' CZ ' ' HB2' ' A' ' 49' ' ' ARG . 22.6 mtm105 -136.36 153.8 76.59 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.642 0.734 . . . . 0.0 110.87 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 134.51 28.22 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.709 2.273 . . . . 0.0 112.336 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -166.07 -112.68 0.27 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.515 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -112.77 -42.47 3.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.863 0.363 . . . . 0.0 110.862 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.56 -55.41 24.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.455 ' CE1' HG13 ' A' ' 67' ' ' VAL . 2.6 m-85 -110.87 168.04 9.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.922 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.8 t -139.07 117.71 12.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.432 ' CD2' ' N ' ' A' ' 56' ' ' LEU . 0.7 OUTLIER -93.94 117.34 29.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.938 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -143.3 130.57 20.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -108.09 146.51 32.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -134.95 83.89 2.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 55.07 98.45 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.509 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 41.42 47.35 3.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.745 0.307 . . . . 0.0 111.096 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 2.6 tmm? -159.4 123.63 3.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.568 HD21 HG21 ' A' ' 39' ' ' VAL . 2.3 mm? -97.58 152.44 19.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -141.17 128.23 20.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.425 HD22 ' CE3' ' A' ' 41' ' ' TRP . 15.9 tp -125.07 113.16 17.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.916 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 89.8 t -94.95 133.24 36.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.174 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.455 HG13 ' CE1' ' A' ' 54' ' ' TYR . 75.5 t -130.96 108.7 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -86.81 176.09 7.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 44.3 m-20 54.92 44.94 27.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 11.9 mt -56.77 151.26 14.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 74.6 mtt180 -136.56 148.67 64.72 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.546 0.689 . . . . 0.0 110.938 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -8.71 24.31 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.652 2.235 . . . . 0.0 112.356 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -106.25 -26.88 11.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -59.01 -33.05 70.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 50.5 p -46.69 117.01 1.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -154.56 -125.34 0.98 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.537 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 58.9 ttp85 -129.64 119.07 22.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.786 0.327 . . . . 0.0 110.897 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -102.41 142.95 32.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 38.1 m -126.16 164.98 19.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 51.3 t -149.46 126.46 11.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.926 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.3 t -100.4 129.29 46.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.479 ' O ' ' N ' ' A' ' 85' ' ' GLN . 18.6 t80 -164.23 141.68 6.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 82' ' ' PHE . . . 35.74 50.34 1.08 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.446 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 57.67 39.69 27.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.735 0.302 . . . . 0.0 110.871 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.479 ' N ' ' O ' ' A' ' 82' ' ' PHE . 4.4 mm-40 -130.14 156.41 44.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 27.9 m -143.57 105.0 4.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.175 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.848 ' OG1' ' HB1' ' A' ' 14' ' ' ALA . 5.1 t -99.61 132.86 44.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.11 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -116.51 139.55 50.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.839 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -142.33 176.16 9.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.119 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.432 HG22 ' N ' ' A' ' 91' ' ' LEU . 19.5 m -126.63 156.74 40.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.192 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.432 ' N ' HG22 ' A' ' 90' ' ' THR . 60.6 tp -133.24 135.68 45.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.916 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 89.6 m -110.72 131.56 54.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.12 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 65.6 t -130.4 109.33 17.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 56.8 m -83.66 131.93 34.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.187 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.38 119.0 12.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.688 ' C ' HD12 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -65.68 145.64 99.03 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.572 0.701 . . . . 0.0 110.923 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.537 ' N ' HD12 ' A' ' 96' ' ' LEU . 53.5 Cg_endo -69.8 107.47 1.87 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.717 2.278 . . . . 0.0 112.342 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 25.1 p -69.82 177.65 2.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -161.62 150.04 19.21 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.518 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 104.76 1.36 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.676 2.251 . . . . 0.0 112.388 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 38.3 m -125.92 -59.42 1.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 32.8 t -74.4 110.64 8.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.505 179.986 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.2 p -110.92 116.71 31.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.891 0.377 . . . . 0.0 110.854 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.1 m 56.18 41.6 29.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.842 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.69 101.6 0.19 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.516 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.2 m -68.73 -51.3 42.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.899 0.38 . . . . 0.0 110.908 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.5 p -129.28 102.61 6.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.884 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.21 146.19 2.87 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.496 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 161.06 47.37 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.671 2.247 . . . . 0.0 112.375 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 90.3 t -75.3 122.36 28.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -100.66 169.44 9.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.522 ' HB3' ' HB2' ' A' ' 14' ' ' ALA . 11.2 m-85 -100.53 79.34 2.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 43.7 tp60 -54.34 -59.94 4.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.872 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -125.01 65.83 1.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.522 ' HB2' ' HB3' ' A' ' 11' ' ' PHE . . . -60.21 178.32 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.109 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 24.2 mt -47.68 168.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.941 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.449 ' O ' HD23 ' A' ' 18' ' ' LEU . 8.1 mtmp? -154.19 147.02 24.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 16' ' ' LYS . 1.5 p-10 -35.12 138.17 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.909 HD12 HD13 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -145.78 145.42 30.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -135.74 133.52 38.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 66.4 t -146.29 151.72 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.168 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.718 HD12 ' HB ' ' A' ' 94' ' ' THR . 4.8 tp -77.95 135.59 37.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -51.44 154.43 1.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.88 -44.49 1.71 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.436 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -80.8 -143.2 3.44 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.488 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.785 ' HB2' ' HD3' ' A' ' 68' ' ' ARG . . . -135.83 160.84 37.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.825 0.345 . . . . 0.0 111.078 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -114.61 136.06 53.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.075 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 42.2 m -117.59 121.8 41.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.434 ' N ' HD12 ' A' ' 28' ' ' LEU . 5.4 mp -105.91 130.71 53.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.918 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 55.6 mtt180 -123.12 145.56 48.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 24.7 p -171.05 133.7 0.9 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.817 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.448 HG13 ' O ' ' A' ' 61' ' ' ALA . 92.8 t -106.17 131.03 56.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.134 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.422 HD11 HD21 ' A' ' 63' ' ' LEU . 8.5 mt -90.69 150.17 21.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.2 m -40.78 -46.59 2.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.4 m -142.92 173.17 11.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.594 HG22 ' HB2' ' A' ' 61' ' ' ALA . 15.1 t -87.15 106.67 16.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.122 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -129.91 19.74 5.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.08 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.852 ' HB1' ' HA ' ' A' ' 38' ' ' PRO . . . -59.55 166.98 2.71 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.573 0.701 . . . . 0.0 111.09 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.852 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 54.0 Cg_endo -69.77 179.69 21.62 Favored 'Cis proline' 0 C--N 1.342 0.201 0 C-N-CA 122.641 -1.816 . . . . 0.0 112.356 0.006 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.807 HG12 ' CE1' ' A' ' 82' ' ' PHE . 35.2 m -122.11 176.12 4.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.7 tttm -126.24 115.51 19.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 56.4 m95 -89.77 161.64 15.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.959 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 26.7 p -154.49 132.87 11.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.402 ' CD1' ' C ' ' A' ' 43' ' ' TYR . 1.0 OUTLIER -149.27 133.19 17.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.789 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 39.86 36.1 0.74 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.539 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 68.06 52.49 0.68 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.828 0.347 . . . . 0.0 110.925 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -151.97 161.17 43.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 48.9 t -100.96 122.7 53.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.1 mt -95.06 119.36 33.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.945 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -121.65 153.33 59.62 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.605 0.716 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 141.92 46.26 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.646 2.231 . . . . 0.0 112.327 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 176.32 -121.76 0.82 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.526 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -96.91 -60.77 1.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.881 0.372 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.0 tptt -63.07 -45.0 94.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -115.73 161.16 19.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.639 ' C ' HD12 ' A' ' 56' ' ' LEU . 1.8 m -143.67 138.27 28.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.878 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.639 HD12 ' C ' ' A' ' 55' ' ' SER . 6.6 mp -140.86 126.83 19.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 25.8 tpt180 -136.68 131.42 33.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -101.39 129.69 47.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -128.97 81.42 2.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 43.17 88.01 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.481 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.594 ' HB2' HG22 ' A' ' 35' ' ' VAL . . . 56.72 43.03 25.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.771 0.32 . . . . 0.0 111.118 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.42 ' C ' HD22 ' A' ' 63' ' ' LEU . 2.8 ttt -147.66 138.06 23.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.502 ' N ' HD22 ' A' ' 63' ' ' LEU . 2.9 mm? -117.37 155.82 28.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -156.84 108.82 2.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.1 tp -112.32 128.99 56.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 90.6 t -114.91 120.47 64.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.111 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.6 t -114.88 114.76 47.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.135 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.785 ' HD3' ' HB2' ' A' ' 25' ' ' ALA . 24.9 mmt85 -88.31 172.42 9.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 62.1 t30 58.22 53.88 6.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 19.2 mt -59.52 146.96 38.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.473 ' HB3' ' NE2' ' A' ' 73' ' ' GLN . 23.7 mmm-85 -146.28 144.39 21.19 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.604 0.716 . . . . 0.0 110.845 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -4.68 14.52 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.691 2.261 . . . . 0.0 112.306 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.473 ' NE2' ' HB3' ' A' ' 71' ' ' ARG . 2.2 pm0 -105.93 2.95 27.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.953 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -90.96 -30.77 16.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.926 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 67.5 m -39.14 100.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -133.9 -140.15 4.28 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.466 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 56.7 ttt180 -119.48 100.73 7.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.762 0.315 . . . . 0.0 110.88 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -93.78 106.29 18.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 27.0 p -114.15 156.94 23.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.8 t -127.65 118.36 23.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 19.7 m -88.13 123.02 32.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.807 ' CE1' HG12 ' A' ' 39' ' ' VAL . 3.6 t80 -154.54 110.7 3.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 73.88 -122.31 7.55 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.485 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.65 -39.63 6.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.748 0.309 . . . . 0.0 110.864 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -81.85 160.19 23.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 89.8 m -143.86 129.2 18.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.437 ' OG1' ' HB1' ' A' ' 14' ' ' ALA . 6.3 t -94.77 156.31 16.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 95.6 p -153.86 122.11 6.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.85 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -127.28 169.04 13.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.129 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 60.9 m -128.57 138.25 52.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.136 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.909 HD13 HD12 ' A' ' 18' ' ' LEU . 18.3 tp -108.37 131.5 54.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 59.3 m -100.23 112.54 24.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.152 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 92.9 t -101.08 122.61 53.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.718 ' HB ' HD12 ' A' ' 21' ' ' LEU . 6.2 m -92.52 125.27 37.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.159 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.09 121.48 19.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.1 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.65 ' C ' HD12 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -62.19 145.64 93.43 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.585 0.707 . . . . 0.0 110.927 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.513 ' N ' HD12 ' A' ' 96' ' ' LEU . 53.6 Cg_endo -69.77 94.64 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.682 2.255 . . . . 0.0 112.347 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.4 t -108.56 115.64 30.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.828 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -111.03 146.27 17.64 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.467 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 113.18 3.29 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.684 2.256 . . . . 0.0 112.35 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 98.7 p -122.36 79.62 1.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 89.9 p -62.17 156.8 20.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.495 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.3 m -53.35 120.16 5.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.935 0.398 . . . . 0.0 110.806 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 t -154.37 130.98 10.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.824 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.11 -177.07 20.97 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.509 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.8 p -113.64 87.51 2.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.891 0.377 . . . . 0.0 110.873 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.3 m -52.72 -39.77 62.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.836 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.66 179.72 27.9 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.482 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 172.67 12.21 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.722 2.282 . . . . 0.0 112.32 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.934 HG11 ' HB2' ' A' ' 36' ' ' ALA . 8.9 m -79.26 46.19 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 29.1 mtp180 -47.78 172.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.85 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.799 ' HB3' ' HB2' ' A' ' 14' ' ' ALA . 10.2 m-85 -88.87 71.02 8.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.847 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -45.89 -52.8 10.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -128.62 60.15 1.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.913 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.799 ' HB2' ' HB3' ' A' ' 11' ' ' PHE . . . -52.18 171.11 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.121 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.586 HD22 HD23 ' A' ' 28' ' ' LEU . 12.9 mt -54.49 159.39 2.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.3 pttt -141.65 160.41 40.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.7 116.09 1.64 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 80.0 mt -103.33 163.88 11.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.409 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 0.5 OUTLIER -135.16 142.34 46.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 179.909 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.559 HG11 ' CD1' ' A' ' 70' ' ' LEU . 94.4 t -157.76 160.13 2.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.705 HD12 ' HB ' ' A' ' 94' ' ' THR . 5.4 tp -111.16 133.74 53.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -40.85 124.43 2.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.87 21.65 7.36 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.528 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -139.43 -145.91 4.81 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.461 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -142.49 157.27 44.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.813 0.34 . . . . 0.0 111.101 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -112.88 118.07 33.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.2 m -102.32 108.89 20.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.122 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.586 HD23 HD22 ' A' ' 15' ' ' LEU . 5.1 mp -90.98 105.13 17.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.958 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -115.13 123.3 48.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 20.6 p -139.0 144.14 38.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 76.2 t -109.52 134.07 52.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.127 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 1.029 HD13 ' CE2' ' A' ' 82' ' ' PHE . 9.2 mt -100.79 160.05 14.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 45.0 t -65.3 -14.68 61.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.813 ' HB2' HG12 ' A' ' 9' ' ' VAL . 5.3 m -173.44 140.39 0.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.864 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.445 HG13 ' O ' ' A' ' 35' ' ' VAL . 2.8 p -66.61 106.58 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.934 ' HB2' HG11 ' A' ' 9' ' ' VAL . . . -115.67 20.09 14.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.096 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.883 ' HB1' ' HA ' ' A' ' 38' ' ' PRO . . . -45.05 167.04 0.12 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.538 0.685 . . . . 0.0 111.097 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.883 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 54.3 Cg_endo -69.73 174.24 41.26 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.375 -0.043 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.982 HG21 HD11 ' A' ' 63' ' ' LEU . 3.2 t -112.02 160.9 11.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.116 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.408 ' N ' HG12 ' A' ' 39' ' ' VAL . 22.4 tttt -128.68 104.33 7.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.429 ' CE3' HD22 ' A' ' 65' ' ' LEU . 45.4 m95 -86.98 117.15 25.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 19.2 m -116.55 118.79 33.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.781 ' HB3' HD11 ' A' ' 48' ' ' LEU . 44.5 t80 -142.68 110.47 5.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 43.44 -97.09 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.515 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -51.61 -179.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.828 0.347 . . . . 0.0 110.928 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 27.3 p30 -53.06 171.13 0.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 20.3 t -42.34 134.39 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.133 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.781 HD11 ' HB3' ' A' ' 43' ' ' TYR . 96.1 mt -77.17 108.97 10.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 48.9 mtt180 -98.73 149.03 35.35 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.552 0.691 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.451 ' HB3' HD23 ' A' ' 56' ' ' LEU . 53.5 Cg_endo -69.77 157.07 61.64 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.681 2.254 . . . . 0.0 112.329 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 173.25 -137.09 3.95 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.468 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -94.35 -2.93 51.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.869 0.366 . . . . 0.0 110.846 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.87 -55.25 2.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -96.32 152.72 18.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.95 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 45.2 t -124.84 102.33 7.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.516 HD22 ' N ' ' A' ' 56' ' ' LEU . 3.1 mm? -97.49 110.55 23.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.5 ttt85 -130.31 113.5 14.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.424 HE21 ' HB2' ' A' ' 37' ' ' ALA . 1.4 tm0? -108.03 135.53 49.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.955 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -134.17 79.92 1.83 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.42 ' N ' ' OE1' ' A' ' 58' ' ' GLN . . . 38.24 92.13 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.496 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 65.15 35.1 8.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.83 0.348 . . . . 0.0 111.124 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 3.2 tmm? -142.93 122.39 13.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.982 HD11 HG21 ' A' ' 39' ' ' VAL . 2.9 mm? -102.69 151.3 22.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.968 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -156.37 108.78 2.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.429 HD22 ' CE3' ' A' ' 41' ' ' TRP . 7.4 tp -126.81 110.29 12.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 20.6 t -96.43 140.28 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.145 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 40.0 t -131.01 106.01 11.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.154 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 76.3 mtt180 -85.91 171.26 11.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 57.11 53.97 7.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.559 ' CD1' HG11 ' A' ' 20' ' ' VAL . 10.9 mt -65.76 173.84 2.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.938 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -174.33 147.43 1.2 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.603 0.716 . . . . 0.0 110.877 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 -6.38 18.42 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.72 2.28 . . . . 0.0 112.4 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -86.38 -17.92 33.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 75' ' ' SER . 10.8 m-20 -90.28 -3.16 57.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 74' ' ' ASP . 40.4 m -36.71 106.98 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -167.15 -173.81 35.73 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.477 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.82 139.6 49.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.84 0.352 . . . . 0.0 110.836 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -105.18 127.46 52.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 37.3 t -112.11 136.07 51.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.874 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 40.4 t -115.7 121.55 42.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.6 p -85.87 140.94 29.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.846 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 1.029 ' CE2' HD13 ' A' ' 32' ' ' LEU . 2.1 t80 -164.44 107.26 0.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 71.94 -106.36 1.9 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.524 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -121.44 -28.39 4.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.766 0.317 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -89.68 154.6 19.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.943 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 27.8 m -142.84 147.11 34.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.205 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.543 ' CB ' ' HB1' ' A' ' 14' ' ' ALA . 11.3 t -128.9 145.86 51.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.149 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.0 p -137.53 142.15 41.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -138.19 142.82 40.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.07 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 26.5 m -85.54 146.55 26.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 23.8 tp -107.32 127.0 53.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 39.0 m -97.95 115.09 27.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.187 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 55.8 t -117.19 108.7 25.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.118 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.705 ' HB ' HD12 ' A' ' 21' ' ' LEU . 16.5 m -81.86 141.76 33.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.185 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -83.04 112.9 20.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.132 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.669 ' C ' HD12 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -51.99 145.6 17.15 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.6 0.714 . . . . 0.0 110.914 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.531 ' N ' HD12 ' A' ' 96' ' ' LEU . 53.3 Cg_endo -69.83 105.39 1.49 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.658 2.239 . . . . 0.0 112.311 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 50.3 m -94.17 -45.09 7.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -49.38 146.19 7.14 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.513 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 101' ' ' SER . 53.8 Cg_endo -69.74 -6.37 18.43 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.71 2.274 . . . . 0.0 112.354 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 100' ' ' PRO . 8.1 t -34.55 121.37 0.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.857 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 28.2 t -112.46 -176.04 2.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.48 -179.983 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.1 t -68.86 167.52 15.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.882 0.372 . . . . 0.0 110.897 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m 36.97 50.4 0.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.826 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.26 109.45 0.4 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.476 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -44.05 126.5 4.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.877 0.37 . . . . 0.0 110.83 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.2 p -88.25 113.78 24.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.815 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.47 170.71 18.62 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.47 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 150.89 68.65 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.691 2.261 . . . . 0.0 112.338 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.424 ' CG1' ' HB3' ' A' ' 32' ' ' LEU . 85.1 t -77.1 112.45 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.132 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.3 mmm180 -78.34 133.62 37.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.462 ' HB3' ' HB2' ' A' ' 14' ' ' ALA . 10.4 m-85 -73.83 90.29 1.89 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 55.2 tp60 -63.17 -50.83 68.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.887 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -131.61 65.99 1.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.572 ' HB1' ' OG1' ' A' ' 87' ' ' THR . . . -58.47 171.48 0.6 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.11 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 47.7 mt -39.03 147.05 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.9 ptmm? -127.24 167.29 16.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -82.93 122.56 28.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.2 mp -113.82 168.31 9.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.906 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -136.1 112.46 9.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.7 t -130.0 149.49 33.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.139 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.702 HD12 ' HB ' ' A' ' 94' ' ' THR . 4.8 tp -82.56 149.21 27.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.916 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -54.46 145.62 17.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.72 18.66 69.9 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.467 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -118.06 -143.41 7.34 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.495 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -141.8 143.75 33.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.833 0.349 . . . . 0.0 111.093 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -111.3 124.82 53.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.126 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 99.9 m -112.29 103.23 11.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.4 mp -96.57 118.47 33.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.407 ' CB ' ' O ' ' A' ' 63' ' ' LEU . 4.7 ptt-85 -132.92 147.41 52.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.3 p -146.95 141.76 26.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.3 t -104.34 145.76 12.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.424 ' HB3' ' CG1' ' A' ' 9' ' ' VAL . 5.0 mp -118.07 153.32 33.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 67.8 p -49.84 -40.84 43.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.0 m -123.22 176.15 6.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.83 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 1.018 HG22 ' HB2' ' A' ' 61' ' ' ALA . 66.3 t -105.49 85.09 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.125 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.515 ' HB3' ' HE2' ' A' ' 82' ' ' PHE . . . -107.01 143.63 34.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.871 ' HB1' ' HA ' ' A' ' 38' ' ' PRO . . . -168.01 166.98 7.05 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.535 0.683 . . . . 0.0 111.11 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.871 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 53.5 Cg_endo -69.71 177.83 27.38 Favored 'Cis proline' 0 C--O 1.232 0.175 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.357 -0.074 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.2 m -115.73 172.34 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.136 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 35.4 tttt -122.6 119.59 31.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.666 ' CZ3' HD22 ' A' ' 65' ' ' LEU . 21.5 m95 -108.7 118.46 36.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.946 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.47 ' N ' HD12 ' A' ' 48' ' ' LEU . 16.6 p -139.58 152.26 46.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.409 ' HB2' HD11 ' A' ' 48' ' ' LEU . 10.1 t80 -133.69 104.82 6.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.64 -90.31 0.55 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.459 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -119.64 -58.41 1.9 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.76 0.314 . . . . 0.0 110.864 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -63.78 140.8 58.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.8 t -82.82 143.16 12.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.47 HD12 ' N ' ' A' ' 42' ' ' CYS . 5.8 mt -89.31 134.58 34.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 54.9 mtp180 -136.42 145.35 51.29 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.62 0.724 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 144.1 53.02 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.696 2.264 . . . . 0.0 112.352 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -173.44 -125.75 0.86 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.448 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -98.96 -54.29 3.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.92 0.391 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.6 tmtm? -64.11 -25.54 68.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.624 ' CD2' HD11 ' A' ' 65' ' ' LEU . 2.8 m-85 -120.36 -179.48 3.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.8 t -167.26 106.97 0.59 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.88 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.404 HD23 ' CD1' ' A' ' 41' ' ' TRP . 5.6 mp -108.66 131.67 54.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.419 ' HG3' ' N ' ' A' ' 58' ' ' GLN . 7.0 tpp85 -141.45 146.69 36.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.578 HE22 ' HB2' ' A' ' 37' ' ' ALA . 31.7 tt0 -115.06 121.06 41.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.919 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -119.35 80.11 1.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.857 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 46.58 93.87 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.53 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 1.018 ' HB2' HG22 ' A' ' 35' ' ' VAL . . . 49.91 36.52 11.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.779 0.323 . . . . 0.0 111.093 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 4.0 ttp -143.26 118.74 10.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.407 ' O ' ' CB ' ' A' ' 29' ' ' ARG . 2.8 mm? -94.32 158.69 15.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.959 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -153.22 124.55 7.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.666 HD22 ' CZ3' ' A' ' 41' ' ' TRP . 50.5 tp -125.81 106.99 10.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.7 t -92.21 131.77 38.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.142 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 97.8 t -129.97 114.99 31.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.155 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -91.45 172.81 8.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.7 t30 53.5 51.79 14.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 13.0 mt -60.98 142.84 56.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 -139.96 152.49 67.89 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.6 0.714 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -6.44 18.63 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.663 2.242 . . . . 0.0 112.351 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -97.89 -22.79 16.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.932 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 75' ' ' SER . 0.9 OUTLIER -70.22 -36.47 74.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 74' ' ' ASP . 47.2 m -36.98 132.63 0.67 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -170.01 -138.94 2.61 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.463 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 65.1 ttp85 -127.67 116.97 21.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.799 0.333 . . . . 0.0 110.924 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -89.2 160.11 17.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.935 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 84.0 p -161.12 151.87 18.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 47.6 t -136.99 134.47 36.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 72.7 m -109.08 117.57 34.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.812 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.565 ' CE1' ' O ' ' A' ' 38' ' ' PRO . 7.5 t80 -164.3 142.25 6.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 57.11 31.79 62.28 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.524 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 66.53 26.18 9.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.802 0.334 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -117.03 159.3 22.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 31.3 m -143.55 109.91 5.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.176 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.572 ' OG1' ' HB1' ' A' ' 14' ' ' ALA . 9.8 t -100.59 159.46 15.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.122 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 98.7 p -143.73 131.79 21.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -138.29 176.19 8.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.12 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 4.5 m -131.12 156.26 45.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.155 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 48.1 tp -128.79 142.54 50.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 62.1 m -117.78 132.67 56.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.151 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 89.0 t -129.81 123.2 56.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.148 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.702 ' HB ' HD12 ' A' ' 21' ' ' LEU . 25.1 m -88.04 129.13 35.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.128 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.38 120.28 17.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.084 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.629 ' C ' HD12 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -75.02 146.41 82.39 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.569 0.7 . . . . 0.0 110.91 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.521 ' N ' HD12 ' A' ' 96' ' ' LEU . 53.7 Cg_endo -69.73 98.09 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.713 2.275 . . . . 0.0 112.312 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.5 t -114.54 133.95 55.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -160.12 -81.09 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.516 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 127.62 14.82 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.652 2.235 . . . . 0.0 112.337 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 18.6 m -37.26 130.3 0.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 30.0 t -140.32 146.57 38.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.484 -179.971 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.0 t -147.82 158.5 44.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.866 0.365 . . . . 0.0 110.838 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.6 p -66.71 -12.82 60.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.879 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.95 92.15 0.14 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.497 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.8 t -154.79 130.8 10.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.901 0.381 . . . . 0.0 110.851 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.7 m -146.05 128.2 15.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.63 -82.56 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.519 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 147.42 62.98 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.692 2.262 . . . . 0.0 112.338 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.635 HG13 ' HB3' ' A' ' 33' ' ' SER . 85.9 t -74.77 119.07 21.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.132 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 69.3 mtt-85 -101.84 163.47 12.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.417 ' HB3' ' HB2' ' A' ' 14' ' ' ALA . 10.6 m-85 -74.02 93.78 2.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.37 -62.05 1.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -118.59 57.05 0.87 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.418 ' HB1' ' OG1' ' A' ' 87' ' ' THR . . . -48.55 177.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.3 mt -58.57 178.7 0.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -155.49 160.07 40.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -63.67 129.98 42.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.836 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.52 ' HB2' HD12 ' A' ' 91' ' ' LEU . 9.7 mt -123.11 137.01 55.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -112.68 110.37 20.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 44.1 t -137.1 149.81 26.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.09 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.649 HD23 ' N ' ' A' ' 22' ' ' GLU . 2.3 tt -75.62 152.03 37.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.649 ' N ' HD23 ' A' ' 21' ' ' LEU . 4.8 pt-20 -61.73 179.57 0.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 52.16 44.89 57.59 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.513 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -151.36 -143.24 3.67 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.8 -0.715 . . . . 0.0 112.515 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -139.49 137.46 35.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.777 0.322 . . . . 0.0 111.093 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.688 ' HB2' HD11 ' A' ' 70' ' ' LEU . . . -113.76 113.34 24.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.114 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 46.1 m -105.58 120.73 42.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.165 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.541 HD13 HD23 ' A' ' 65' ' ' LEU . 6.7 mp -99.19 164.79 12.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 42.5 mtm180 -151.99 151.6 31.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 14.6 p -173.83 128.05 0.39 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 93.8 t -104.19 141.39 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.772 HD22 ' N ' ' A' ' 32' ' ' LEU . 0.7 OUTLIER -92.82 155.19 17.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.635 ' HB3' HG13 ' A' ' 9' ' ' VAL . 45.4 t -45.0 -24.72 0.25 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 t -158.12 152.24 24.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.763 ' HA ' ' HB2' ' A' ' 61' ' ' ALA . 39.0 t -53.14 107.34 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.12 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.96 136.6 37.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.13 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.852 ' HB1' ' HA ' ' A' ' 38' ' ' PRO . . . -173.87 166.92 2.54 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.599 0.714 . . . . 0.0 111.121 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.852 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 54.3 Cg_endo -69.71 176.33 32.88 Favored 'Cis proline' 0 C--N 1.341 0.184 0 C-N-CA 122.724 -1.782 . . . . 0.0 112.326 -0.016 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.57 HG21 HD11 ' A' ' 63' ' ' LEU . 40.4 t -117.11 150.0 19.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -104.56 138.36 41.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.474 ' CZ3' HD22 ' A' ' 65' ' ' LEU . 35.4 m95 -114.09 107.59 15.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.942 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 15.7 p -118.66 124.78 48.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -132.14 95.62 3.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 81.78 -162.16 42.81 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.504 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -48.48 -65.92 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.838 0.352 . . . . 0.0 110.92 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -71.26 170.11 13.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.4 p -118.07 145.44 23.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.174 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 30.1 mt -84.77 151.01 24.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.954 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 52.3 mtp180 -140.66 147.83 50.48 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.597 0.713 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.766 ' HD3' HD12 ' A' ' 56' ' ' LEU . 53.8 Cg_endo -69.76 134.53 28.22 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.7 2.266 . . . . 0.0 112.304 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -176.12 -128.22 1.1 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.5 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -89.19 -49.66 6.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.902 0.382 . . . . 0.0 110.85 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -62.27 -59.24 5.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -106.53 161.8 14.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.952 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.8 m -136.77 110.93 8.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.766 HD12 ' HD3' ' A' ' 50' ' ' PRO . 9.4 mt -113.99 114.66 26.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.962 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.479 ' HB3' ' CZ ' ' A' ' 57' ' ' ARG . 4.9 ptp180 -139.06 124.59 19.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 4.9 tm0? -98.52 144.24 28.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 60' ' ' GLY . 64.3 mt-10 -157.25 129.55 7.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.94 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 59' ' ' GLU . . . 34.78 60.85 0.63 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.439 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.763 ' HB2' ' HA ' ' A' ' 35' ' ' VAL . . . 52.65 47.18 25.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.798 0.332 . . . . 0.0 111.079 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 12.4 tpp -144.36 126.95 16.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.57 HD11 HG21 ' A' ' 39' ' ' VAL . 2.6 mm? -98.93 161.53 13.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -155.49 113.68 3.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.541 HD23 HD13 ' A' ' 28' ' ' LEU . 8.7 tp -116.98 106.75 13.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 82.2 t -94.01 122.47 45.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 85.7 t -116.32 104.68 17.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.146 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 -82.0 162.83 22.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.843 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.41 ' O ' ' NH2' ' A' ' 71' ' ' ARG . 5.0 t-20 54.09 53.66 10.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.688 HD11 ' HB2' ' A' ' 26' ' ' ALA . 20.4 mt -62.58 156.25 23.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.913 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.41 ' NH2' ' O ' ' A' ' 69' ' ' ASN . 4.0 ptp85 -155.07 151.3 22.67 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.647 0.737 . . . . 0.0 110.859 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -19.72 35.56 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.723 2.282 . . . . 0.0 112.324 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -83.14 -1.33 52.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.926 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -99.44 -23.46 15.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.2 m -41.65 103.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.823 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -141.93 -150.33 5.34 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.493 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -116.4 106.23 13.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.843 0.354 . . . . 0.0 110.846 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -92.31 125.35 36.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 68.8 p -122.18 155.87 34.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.863 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 39.2 t -130.89 127.5 38.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.873 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 13.8 t -85.89 122.47 30.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.407 ' CE1' ' HG ' ' A' ' 32' ' ' LEU . 78.0 t80 -131.2 91.66 3.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.86 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 64.95 -94.08 0.17 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.492 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.78 -37.26 4.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.807 0.337 . . . . 0.0 110.908 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -84.58 151.19 24.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 88.4 m -138.28 131.43 30.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.171 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.418 ' OG1' ' HB1' ' A' ' 14' ' ' ALA . 14.9 t -102.94 157.89 16.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.101 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 89.0 p -150.21 128.94 12.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.837 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.98 167.53 18.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.099 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 35.5 m -117.87 131.21 56.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.157 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.52 HD12 ' HB2' ' A' ' 18' ' ' LEU . 15.9 tp -101.3 128.42 47.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 98.3 m -98.93 127.63 44.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.158 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 86.2 t -126.61 127.91 70.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 28.6 m -100.51 129.91 46.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.164 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.83 126.52 31.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.125 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.638 ' C ' HD12 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -64.32 147.09 97.47 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.613 0.72 . . . . 0.0 110.905 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.544 ' N ' HD12 ' A' ' 96' ' ' LEU . 53.9 Cg_endo -69.71 106.62 1.68 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.674 2.249 . . . . 0.0 112.329 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 37.2 t -122.64 149.78 43.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.879 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 77.66 144.64 2.16 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.489 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -35.49 12.52 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.667 2.245 . . . . 0.0 112.338 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.5 m -60.74 114.13 2.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 24.8 m -111.32 -47.18 3.21 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.831 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.512 -179.966 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.0 t -129.57 124.72 34.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.876 0.37 . . . . 0.0 110.859 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 t -134.66 151.33 50.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.78 75.34 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.526 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.2 t -73.5 140.86 46.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.909 0.385 . . . . 0.0 110.878 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.9 t -105.4 158.09 16.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.68 154.01 24.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.495 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 169.14 19.62 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.669 2.246 . . . . 0.0 112.356 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.515 HG11 ' HE1' ' A' ' 82' ' ' PHE . 26.8 t -77.99 149.43 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.3 mtt-85 -112.95 161.75 16.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.782 ' HB3' ' HB2' ' A' ' 14' ' ' ALA . 10.6 m-85 -89.7 100.45 13.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.881 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -60.63 -52.02 66.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.934 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 14' ' ' ALA . 18.6 tp10 -131.27 46.44 2.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.813 ' HB1' ' OG1' ' A' ' 87' ' ' THR . . . -34.36 151.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.103 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.574 HD22 ' HB3' ' A' ' 28' ' ' LEU . 10.9 mt -48.46 153.41 0.76 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.3 mtpt -135.26 -179.01 5.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -61.1 147.12 44.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.849 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.4 mt -142.72 158.69 43.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.956 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -135.87 128.67 31.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.488 HG22 HD11 ' A' ' 91' ' ' LEU . 9.5 m -147.39 166.7 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.099 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.56 HD23 ' N ' ' A' ' 22' ' ' GLU . 2.7 tt -100.36 149.2 23.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.56 ' N ' HD23 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -57.24 166.7 1.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.26 19.22 45.54 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.468 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -120.54 -148.74 8.12 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.466 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.653 ' HB2' ' HD3' ' A' ' 68' ' ' ARG . . . -140.45 143.23 35.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.85 0.357 . . . . 0.0 111.06 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.57 ' HB2' HD11 ' A' ' 70' ' ' LEU . . . -110.97 134.92 52.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 82.1 m -116.12 98.55 6.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.175 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.574 ' HB3' HD22 ' A' ' 15' ' ' LEU . 5.5 mp -95.9 107.81 20.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.3 ptt-85 -117.11 158.69 23.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.694 ' SG ' HD12 ' A' ' 63' ' ' LEU . 26.5 p -162.06 149.27 14.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 68.0 t -106.84 134.87 47.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.106 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.632 HD22 ' CD1' ' A' ' 82' ' ' PHE . 8.3 mt -100.75 155.22 18.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.956 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.9 t -70.76 -35.44 72.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.3 t -129.39 157.0 43.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.845 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 17.6 t -86.03 95.71 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.116 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.871 ' HB3' ' CZ ' ' A' ' 82' ' ' PHE . . . -122.57 150.99 41.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.134 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.849 ' HB1' ' HA ' ' A' ' 38' ' ' PRO . . . -168.86 167.02 6.14 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.618 0.723 . . . . 0.0 111.088 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.849 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 53.3 Cg_endo -69.76 175.01 38.25 Favored 'Cis proline' 0 C--N 1.342 0.219 0 C-N-CA 122.65 -1.813 . . . . 0.0 112.361 -0.04 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.598 HG21 HD21 ' A' ' 63' ' ' LEU . 9.2 t -108.07 140.11 27.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.075 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.2 tttp -107.83 138.19 44.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.715 ' CE3' HD22 ' A' ' 65' ' ' LEU . 28.1 m95 -120.08 111.06 17.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.3 p -106.3 153.26 22.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.4 ' O ' ' C ' ' A' ' 44' ' ' GLY . 19.2 t80 -133.51 147.16 51.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.937 -179.776 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 43' ' ' TYR . . . -38.1 -49.68 2.13 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.476 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -66.48 -72.49 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.871 0.367 . . . . 0.0 110.915 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.461 ' CG ' ' N ' ' A' ' 47' ' ' VAL . 1.1 t-20 -150.68 165.17 34.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.461 ' N ' ' CG ' ' A' ' 46' ' ' ASN . 11.5 p -50.53 151.43 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.097 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.0 mt -106.42 148.9 27.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 60.1 mtm180 -132.1 146.08 60.13 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.569 0.699 . . . . 0.0 110.878 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.833 ' HB3' HD13 ' A' ' 56' ' ' LEU . 53.7 Cg_endo -69.78 145.81 58.15 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.699 2.266 . . . . 0.0 112.31 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 174.54 -115.07 0.53 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.458 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -105.88 -62.18 1.4 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.89 0.376 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.65 -37.85 13.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.479 ' HB3' HD11 ' A' ' 65' ' ' LEU . 5.1 m-85 -122.65 164.77 17.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.942 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.1 t -143.1 119.06 10.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.833 HD13 ' HB3' ' A' ' 50' ' ' PRO . 4.2 mp -113.83 127.23 55.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.952 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 16.5 ttm180 -148.22 122.15 9.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -100.2 125.16 46.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.932 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -128.57 82.45 2.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 61' ' ' ALA . . . 52.13 101.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.466 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 60' ' ' GLY . . . 37.17 42.43 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.75 0.31 . . . . 0.0 111.085 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.7 ttp -147.26 139.15 24.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.694 HD12 ' SG ' ' A' ' 30' ' ' CYS . 5.8 mt -132.3 152.16 51.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -154.78 113.41 3.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.715 HD22 ' CE3' ' A' ' 41' ' ' TRP . 36.6 tp -108.39 125.76 52.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.3 t -110.48 130.72 63.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.2 t -124.64 107.2 17.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.653 ' HD3' ' HB2' ' A' ' 25' ' ' ALA . 27.8 mmt180 -86.9 170.57 11.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.5 m120 54.05 49.39 18.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.57 HD11 ' HB2' ' A' ' 26' ' ' ALA . 16.2 mt -65.18 172.55 2.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.935 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.6 mtp180 -162.35 157.72 19.62 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.598 0.713 . . . . 0.0 110.893 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -1.86 9.19 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.702 2.268 . . . . 0.0 112.337 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 17.2 mm100 -105.72 -37.88 6.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 75' ' ' SER . 0.8 OUTLIER -55.21 -41.16 71.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.805 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 74' ' ' ASP . 21.4 p -37.45 113.15 0.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.731 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -143.9 -124.94 1.85 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.514 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -129.85 108.56 10.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.817 0.341 . . . . 0.0 110.86 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -87.17 130.45 34.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.2 m -142.63 157.01 45.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.85 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 9.8 t -141.58 130.24 22.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 50.4 m -89.02 107.01 18.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.871 ' CZ ' ' HB3' ' A' ' 36' ' ' ALA . 49.1 t80 -134.61 95.24 3.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 85.37 -141.38 18.97 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.494 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -85.45 -39.68 17.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.798 0.333 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -88.8 138.59 31.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 18.9 m -117.61 132.31 56.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.813 ' OG1' ' HB1' ' A' ' 14' ' ' ALA . 14.0 t -90.28 157.86 17.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 94.9 p -153.79 125.76 7.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -130.55 175.83 8.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.097 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 47.6 m -134.67 145.22 48.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.488 HD11 HG22 ' A' ' 20' ' ' VAL . 10.2 tp -122.12 138.38 54.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 46.3 m -107.14 126.62 52.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 57.5 t -114.59 117.97 57.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.091 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 88.1 m -89.55 147.2 24.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.155 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -87.94 113.18 23.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.14 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.681 ' C ' HD12 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -50.98 144.9 12.95 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.677 0.751 . . . . 0.0 110.911 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.511 ' N ' HD12 ' A' ' 96' ' ' LEU . 54.1 Cg_endo -69.77 104.12 1.27 Allowed 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.644 2.229 . . . . 0.0 112.395 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 33.2 t -112.18 99.31 7.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -88.61 146.38 19.35 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.485 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -1.15 7.96 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.681 2.254 . . . . 0.0 112.339 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 93.1 p -113.96 164.63 13.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.8 m -117.37 90.75 3.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.819 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.461 179.979 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.3 p 43.3 41.02 2.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.885 0.374 . . . . 0.0 110.888 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.8 t -78.41 130.3 35.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.99 -100.9 2.54 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.48 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t -115.95 158.13 23.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.872 0.368 . . . . 0.0 110.854 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.0 m -42.77 -60.16 1.68 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.824 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.77 146.24 8.7 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.456 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 162.79 40.73 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.707 2.271 . . . . 0.0 112.321 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 87.9 t -139.33 124.36 21.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.15 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -117.5 143.3 46.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.587 ' HB3' ' HB2' ' A' ' 14' ' ' ALA . 8.8 m-85 -63.87 80.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.0 tp60 -48.87 -54.18 16.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -132.74 58.29 1.77 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.587 ' HB2' ' HB3' ' A' ' 11' ' ' PHE . . . -40.83 160.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.099 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.541 HD12 HG23 ' A' ' 87' ' ' THR . 6.1 mt -52.52 -176.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 17' ' ' ASP . 1.9 pptp? -169.23 142.52 2.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.795 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 16' ' ' LYS . 0.4 OUTLIER -37.22 141.32 0.15 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 179.88 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 mp -123.13 156.31 35.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -126.36 110.93 13.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 73.5 t -133.7 151.89 33.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.165 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.715 HD12 ' HB ' ' A' ' 94' ' ' THR . 12.1 tp -91.92 142.95 26.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -47.64 149.05 1.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.13 11.04 79.41 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.459 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -118.98 -147.67 8.19 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.463 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -140.57 152.89 45.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.831 0.348 . . . . 0.0 111.096 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -113.91 124.64 52.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.086 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 94.5 m -116.54 136.91 52.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.117 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.785 HD21 ' CE2' ' A' ' 78' ' ' TYR . 7.2 mp -104.85 134.87 47.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 32.3 mtm180 -134.68 127.87 31.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.541 ' SG ' HD23 ' A' ' 63' ' ' LEU . 23.2 p -158.3 131.35 7.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 69.1 t -104.74 137.32 34.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.123 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.401 HD11 HD21 ' A' ' 63' ' ' LEU . 8.1 mt -105.23 160.74 14.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 42.3 t -47.65 -41.35 22.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.6 m -149.1 142.13 24.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.427 ' HB ' ' N ' ' A' ' 61' ' ' ALA . 2.4 p -53.11 136.62 14.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.161 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -158.26 151.17 22.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.849 ' HB1' ' HA ' ' A' ' 38' ' ' PRO . . . -174.68 166.96 2.15 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.625 0.726 . . . . 0.0 111.114 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.849 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 53.9 Cg_endo -69.72 168.32 67.76 Favored 'Cis proline' 0 C--N 1.342 0.215 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.352 -0.035 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.821 HG21 HD11 ' A' ' 63' ' ' LEU . 12.6 t -112.83 152.27 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.163 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.0 tptm -109.14 130.26 55.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.753 ' HZ3' HD22 ' A' ' 28' ' ' LEU . 38.7 m95 -109.77 161.09 15.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.903 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.8 m -149.43 133.76 17.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.553 ' HB2' HD11 ' A' ' 48' ' ' LEU . 0.5 OUTLIER -150.85 132.46 14.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.951 -179.789 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.523 ' O ' ' ND2' ' A' ' 46' ' ' ASN . . . 34.54 59.87 0.65 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.5 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 60.0 t30 52.83 48.33 22.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.873 0.368 . . . . 0.0 110.906 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.523 ' ND2' ' O ' ' A' ' 44' ' ' GLY . 53.8 m-80 -158.05 -176.4 5.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.2 p -115.71 135.5 55.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.089 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.567 HD13 HD21 ' A' ' 65' ' ' LEU . 70.5 mt -96.17 91.32 5.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 62.0 mtm180 -101.19 155.17 36.65 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.622 0.725 . . . . 0.0 110.886 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.498 ' CD ' HD13 ' A' ' 56' ' ' LEU . 53.8 Cg_endo -69.75 161.22 46.79 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.706 2.271 . . . . 0.0 112.309 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 162.76 -137.98 5.11 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.524 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -87.35 -33.71 19.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.871 0.367 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.3 tptm -88.83 -39.2 14.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.943 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -118.97 173.84 6.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.948 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.722 ' C ' HD12 ' A' ' 56' ' ' LEU . 2.2 m -157.3 144.63 18.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.821 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.722 HD12 ' C ' ' A' ' 55' ' ' SER . 8.6 mp -134.27 134.59 42.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.952 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 39.8 mtt180 -145.44 118.98 9.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -91.49 130.21 37.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 60' ' ' GLY . 17.5 tt0 -127.59 81.37 2.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 59' ' ' GLU . . . 35.46 88.62 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.455 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.427 ' N ' ' HB ' ' A' ' 35' ' ' VAL . . . 59.69 50.79 6.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.782 0.325 . . . . 0.0 111.091 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 4.7 ttt -163.06 115.81 1.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.821 HD11 HG21 ' A' ' 39' ' ' VAL . 2.5 mm? -88.08 159.44 18.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -155.7 116.01 3.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.647 HD22 ' CZ3' ' A' ' 41' ' ' TRP . 24.7 tp -126.1 104.62 8.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.954 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 55.7 t -86.59 129.47 38.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.145 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 15.7 t -119.71 117.21 53.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.136 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 86.6 mtt180 -105.64 164.41 11.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.9 m120 66.97 49.6 1.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.566 ' CD2' HD21 ' A' ' 91' ' ' LEU . 12.7 mt -58.95 160.12 6.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.451 ' CG ' ' O ' ' A' ' 70' ' ' LEU . 15.3 mtm105 -161.13 152.76 16.18 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.607 0.718 . . . . 0.0 110.889 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -6.35 18.38 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.663 2.242 . . . . 0.0 112.347 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -107.4 -19.92 13.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.943 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -74.68 -25.71 59.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 67.3 m -49.61 105.33 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -138.05 -148.51 5.37 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.474 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 24.7 ttm180 -130.57 118.06 20.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.822 0.344 . . . . 0.0 110.837 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.785 ' CE2' HD21 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -122.24 135.25 54.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 -179.873 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 69.4 p -129.28 146.72 51.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.574 ' O ' HG23 ' A' ' 86' ' ' THR . 2.7 t -99.87 129.02 45.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.854 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 51.8 p -101.04 117.33 34.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -143.83 121.0 11.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 67.16 -108.87 2.61 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.469 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -117.81 -33.47 4.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.749 0.309 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.4 ' CD ' ' H ' ' A' ' 85' ' ' GLN . 0.4 OUTLIER -85.75 154.46 21.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.894 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.574 HG23 ' O ' ' A' ' 80' ' ' CYS . 95.2 m -144.92 134.37 23.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.165 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.541 HG23 HD12 ' A' ' 15' ' ' LEU . 10.8 t -108.82 136.93 47.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.205 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.9 t -120.82 138.21 54.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.864 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -132.18 170.9 14.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.087 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 75.8 m -131.28 147.87 52.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.566 HD21 ' CD2' ' A' ' 70' ' ' LEU . 32.4 tp -106.67 138.09 43.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 91.7 m -120.77 111.77 18.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.147 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.405 HG21 HD22 ' A' ' 70' ' ' LEU . 48.9 t -119.66 124.8 73.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.079 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.715 ' HB ' HD12 ' A' ' 21' ' ' LEU . 27.7 m -97.34 130.81 44.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.098 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.29 103.27 0.97 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.118 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.818 ' C ' HD12 ' A' ' 96' ' ' LEU . 0.4 OUTLIER -57.08 147.24 56.87 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.593 0.711 . . . . 0.0 110.899 -179.912 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.612 ' N ' HD12 ' A' ' 96' ' ' LEU . 53.9 Cg_endo -69.76 112.1 2.99 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.648 2.232 . . . . 0.0 112.394 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.2 t -144.6 135.1 24.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.829 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 163.97 -157.29 29.51 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.45 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 137.27 34.94 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.652 2.235 . . . . 0.0 112.329 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 31.4 t -78.66 -52.21 8.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 30.2 t -129.9 83.6 2.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.529 -179.947 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.0 m -98.01 167.05 11.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.866 0.365 . . . . 0.0 110.866 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.7 p -39.59 136.18 1.03 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.844 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.71 -158.27 1.38 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.448 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.7 p -114.61 112.11 22.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.897 0.38 . . . . 0.0 110.859 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.7 m -66.64 -55.09 16.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.61 177.13 37.02 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.496 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 178.97 4.01 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.716 2.277 . . . . 0.0 112.356 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.565 HG13 ' HB3' ' A' ' 33' ' ' SER . 75.1 t -80.21 140.8 16.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -117.94 157.53 26.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -71.96 93.89 1.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -73.63 -50.85 19.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -127.02 62.19 1.34 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.456 ' HB1' ' OG1' ' A' ' 87' ' ' THR . . . -56.7 178.95 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.601 HD22 ' HB3' ' A' ' 28' ' ' LEU . 9.1 mt -63.17 162.06 12.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -146.42 147.46 31.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 179.848 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 16' ' ' LYS . 2.4 p30 -34.6 123.34 0.53 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.2 mt -107.53 157.41 18.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -136.93 126.65 25.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.478 HG11 ' HB2' ' A' ' 26' ' ' ALA . 4.2 m -156.49 167.17 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.09 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.484 HD23 ' N ' ' A' ' 22' ' ' GLU . 1.4 tt -98.5 149.18 22.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.484 ' N ' HD23 ' A' ' 21' ' ' LEU . 10.1 pt-20 -53.3 159.79 1.28 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.36 57.81 14.11 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.467 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -148.88 -147.45 4.53 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.459 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -141.0 115.5 9.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.82 0.343 . . . . 0.0 111.13 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.703 ' N ' HD11 ' A' ' 70' ' ' LEU . . . -121.25 120.95 36.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.102 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.7 t -110.13 149.86 29.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.137 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.601 ' HB3' HD22 ' A' ' 15' ' ' LEU . 6.0 mp -101.66 135.0 43.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 69.5 mtt180 -121.63 133.65 54.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 19.5 p -155.73 130.48 9.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.487 HG13 ' O ' ' A' ' 61' ' ' ALA . 79.1 t -107.18 145.47 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.093 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.679 HD13 ' HB3' ' A' ' 36' ' ' ALA . 4.7 mt -99.88 147.62 25.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.565 ' HB3' HG13 ' A' ' 9' ' ' VAL . 40.4 t -39.67 -44.38 1.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.832 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 36.9 t -148.37 163.09 38.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 88.7 t -44.05 115.46 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.679 ' HB3' HD13 ' A' ' 32' ' ' LEU . . . -144.91 126.9 15.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.099 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.881 ' HB1' ' HA ' ' A' ' 38' ' ' PRO . . . -172.62 167.15 3.16 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.587 0.708 . . . . 0.0 111.111 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.881 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 53.3 Cg_endo -69.78 179.03 23.47 Favored 'Cis proline' 0 C--N 1.341 0.162 0 C-N-CA 122.679 -1.801 . . . . 0.0 112.334 0.002 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.516 HG21 HD21 ' A' ' 63' ' ' LEU . 50.2 t -125.91 147.22 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.3 tttt -105.48 125.41 50.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.494 ' CE3' HD22 ' A' ' 65' ' ' LEU . 45.6 m95 -114.05 102.66 10.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.907 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.421 ' HB2' HG23 ' A' ' 47' ' ' VAL . 44.1 t -118.73 128.3 54.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.678 ' CD1' ' CD1' ' A' ' 78' ' ' TYR . 16.7 t80 -110.79 102.52 11.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.894 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.94 -112.24 3.42 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.532 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 17.0 t30 -103.46 -60.16 1.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.853 0.358 . . . . 0.0 110.916 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 -73.83 114.77 12.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.421 HG23 ' HB2' ' A' ' 42' ' ' CYS . 8.6 p -60.35 143.91 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.436 HD22 ' CE1' ' A' ' 54' ' ' TYR . 60.0 mt -76.51 149.75 36.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.925 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 44.4 mtp180 -135.93 141.25 35.95 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.617 0.722 . . . . 0.0 110.851 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 146.88 61.64 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.671 2.247 . . . . 0.0 112.321 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 174.83 -94.33 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.488 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -125.53 -60.87 1.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.886 0.375 . . . . 0.0 110.878 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.407 ' HD2' ' CE2' ' A' ' 54' ' ' TYR . 6.8 tmtt? -58.44 -43.23 88.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.842 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.436 ' CE1' HD22 ' A' ' 48' ' ' LEU . 85.8 m-85 -107.81 149.22 28.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.949 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.423 ' C ' HD12 ' A' ' 56' ' ' LEU . 16.2 m -136.25 130.54 33.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.423 HD12 ' C ' ' A' ' 55' ' ' SER . 5.9 mp -129.99 124.69 33.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.2 tpt85 -125.0 107.88 11.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.853 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.8 tm0? -88.69 134.2 33.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -159.92 129.38 5.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 41.87 -111.61 0.33 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.481 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.487 ' O ' HG13 ' A' ' 31' ' ' VAL . . . -122.89 30.72 6.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.784 0.325 . . . . 0.0 111.076 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -126.75 142.05 51.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.516 HD21 HG21 ' A' ' 39' ' ' VAL . 7.1 mt -128.73 152.42 48.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -147.8 115.09 6.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.494 HD22 ' CE3' ' A' ' 41' ' ' TRP . 9.7 tp -112.9 102.91 10.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 91.6 t -79.73 141.28 15.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.093 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 91.3 t -132.55 107.41 12.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.128 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 37.0 mtt-85 -92.53 167.85 11.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 49.2 t30 60.89 54.67 3.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.703 HD11 ' N ' ' A' ' 26' ' ' ALA . 34.4 mt -76.21 164.19 26.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.942 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.484 ' C ' HG11 ' A' ' 93' ' ' VAL . 25.1 mtp180 -160.08 158.9 26.84 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.607 0.718 . . . . 0.0 110.885 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 3.25 2.92 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.65 2.233 . . . . 0.0 112.343 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 24.0 mm100 -109.57 -38.55 5.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 75' ' ' SER . 67.0 m-20 -51.85 -40.03 59.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.843 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 74' ' ' ASP . 4.0 m -34.51 108.48 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -141.97 -132.65 2.76 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.499 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.469 ' HB3' ' CZ ' ' A' ' 77' ' ' ARG . 20.5 ttp-105 -130.57 104.41 7.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.863 0.363 . . . . 0.0 110.921 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.678 ' CD1' ' CD1' ' A' ' 43' ' ' TYR . 49.1 m-85 -95.59 139.38 31.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 67.9 m -144.88 152.72 40.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 11.1 t -124.15 128.8 49.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 31.9 t -88.4 123.91 33.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.853 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.442 ' CE2' HD22 ' A' ' 32' ' ' LEU . 28.7 t80 -141.3 117.72 10.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 55.34 -102.57 0.17 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.453 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -119.16 -32.67 4.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.729 0.3 . . . . 0.0 110.879 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -85.68 148.01 26.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.4 HG22 ' N ' ' A' ' 87' ' ' THR . 85.7 m -130.88 152.89 49.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.096 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.456 ' OG1' ' HB1' ' A' ' 14' ' ' ALA . 14.3 t -121.83 158.87 27.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.136 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 88.2 p -151.21 132.94 14.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.837 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.54 ' HB2' ' HB2' ' A' ' 15' ' ' LEU . . . -133.02 170.35 15.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.116 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 35.8 m -132.32 125.25 30.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.104 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 34.6 tp -95.63 139.92 31.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.938 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 97.8 m -103.74 126.26 50.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.484 HG11 ' C ' ' A' ' 71' ' ' ARG . 64.6 t -119.0 117.66 55.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.095 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 91.5 m -91.98 141.59 28.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.13 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -83.36 125.18 31.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.625 ' C ' HD12 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -73.9 147.35 86.2 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.581 0.705 . . . . 0.0 110.906 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.545 ' N ' HD12 ' A' ' 96' ' ' LEU . 53.4 Cg_endo -69.82 102.95 1.1 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.666 2.244 . . . . 0.0 112.336 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.1 t -60.4 146.4 44.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 143.39 173.19 14.77 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.442 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 88.98 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.717 2.278 . . . . 0.0 112.306 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.1 m -57.44 159.52 4.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.855 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 40.9 t -69.56 129.03 38.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.5 -179.965 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.3 m -124.77 156.24 38.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.842 0.353 . . . . 0.0 110.87 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.7 t -99.15 88.24 3.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.815 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.43 -131.08 1.82 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.493 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m 48.25 45.16 20.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.886 0.374 . . . . 0.0 110.855 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.6 p -89.4 150.22 22.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.901 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.86 -179.62 16.32 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.474 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -178.4 2.31 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.666 2.244 . . . . 0.0 112.366 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.417 HG21 ' HB2' ' A' ' 36' ' ' ALA . 55.5 t -74.83 135.9 26.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.171 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.419 ' HB3' ' NH1' ' A' ' 10' ' ' ARG . 4.5 mmm180 -99.58 129.07 45.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -58.56 89.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 38.7 tp60 -63.53 -66.1 0.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -122.57 68.5 0.96 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.546 ' HB1' ' OG1' ' A' ' 87' ' ' THR . . . -58.2 174.35 0.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.066 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.4 HD22 ' HB3' ' A' ' 28' ' ' LEU . 8.2 mt -52.7 157.28 1.64 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.8 pttt -141.86 159.13 42.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -47.04 135.24 9.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.415 HD23 ' CD1' ' A' ' 91' ' ' LEU . 12.4 tp -128.54 144.34 51.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -113.2 118.2 34.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 16.5 t -142.96 153.31 17.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.076 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.694 HD23 ' N ' ' A' ' 22' ' ' GLU . 5.2 tt -88.07 154.62 20.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.887 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.694 ' N ' HD23 ' A' ' 21' ' ' LEU . 12.1 pt-20 -69.39 157.78 36.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.79 27.62 68.67 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.464 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -137.14 -139.63 3.94 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.479 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -137.16 145.62 43.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.773 0.32 . . . . 0.0 111.07 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.756 ' HB2' HD11 ' A' ' 70' ' ' LEU . . . -111.69 123.18 49.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.1 m -116.01 114.85 25.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.4 ' HB3' HD22 ' A' ' 15' ' ' LEU . 4.2 mp -105.12 161.08 14.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 63.5 mtm-85 -145.81 157.69 43.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.409 ' SG ' HD23 ' A' ' 63' ' ' LEU . 26.1 p -167.66 125.4 1.2 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 46.9 t -104.21 121.67 56.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 23.4 mt -84.59 174.19 10.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.946 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.7 t -57.33 -32.13 66.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.417 ' C ' ' HB2' ' A' ' 61' ' ' ALA . 8.1 t -165.77 179.17 6.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 77.9 t -59.35 111.33 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.137 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.702 ' HB1' ' CZ ' ' A' ' 82' ' ' PHE . . . -135.0 119.51 18.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.069 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.852 ' HB1' ' HA ' ' A' ' 38' ' ' PRO . . . -171.72 166.97 3.82 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.597 0.713 . . . . 0.0 111.059 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.852 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 53.8 Cg_endo -69.71 154.31 93.09 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.726 -1.781 . . . . 0.0 112.364 -0.026 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.585 HG21 HD11 ' A' ' 63' ' ' LEU . 9.0 t -105.37 162.28 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.172 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.491 ' N ' HG12 ' A' ' 39' ' ' VAL . 44.6 tttm -110.86 148.36 32.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.65 ' CZ3' HD22 ' A' ' 65' ' ' LEU . 25.7 m95 -127.96 140.46 51.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 15.3 p -153.3 133.81 13.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.442 ' CD1' ' CE1' ' A' ' 78' ' ' TYR . 6.3 t80 -116.93 108.82 16.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.948 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.61 -99.18 0.72 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.484 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -128.04 45.37 2.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.825 0.345 . . . . 0.0 110.927 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -160.43 157.3 27.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.549 ' O ' HG13 ' A' ' 47' ' ' VAL . 10.0 p -99.64 119.71 48.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.098 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 74.6 mt -72.51 136.66 45.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.417 ' NH1' ' HB2' ' A' ' 49' ' ' ARG . 16.7 mtm105 -125.08 143.9 45.58 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.637 0.732 . . . . 0.0 110.881 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 129.79 18.25 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.672 2.248 . . . . 0.0 112.304 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -160.3 -140.4 2.88 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.512 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -85.31 -38.66 18.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.932 0.396 . . . . 0.0 110.887 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.2 tptm -73.66 -64.2 1.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -83.46 150.13 26.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 26.6 m -132.9 98.78 4.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.432 HD23 ' CD1' ' A' ' 41' ' ' TRP . 5.4 mp -108.41 100.91 10.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -105.37 108.48 20.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 23.2 tm0? -78.53 141.48 38.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -153.79 110.6 3.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.838 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 47.48 -123.13 8.16 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.465 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.417 ' HB2' ' C ' ' A' ' 34' ' ' SER . . . -102.69 53.3 0.78 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.786 0.327 . . . . 0.0 111.088 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.596 ' C ' HD22 ' A' ' 63' ' ' LEU . 22.2 ttp -155.43 140.14 17.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.769 ' N ' HD22 ' A' ' 63' ' ' LEU . 0.7 OUTLIER -121.66 132.85 54.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -122.39 135.81 54.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.84 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.65 HD22 ' CZ3' ' A' ' 41' ' ' TRP . 9.9 tp -135.46 116.79 14.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 73.7 t -110.0 115.65 50.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.076 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.0 t -113.97 107.24 22.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.111 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -80.6 179.36 7.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.837 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.6 m120 56.32 45.42 22.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.756 HD11 ' HB2' ' A' ' 26' ' ' ALA . 12.3 mt -60.8 153.55 24.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 40.2 mtt-85 -149.33 153.26 37.21 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.612 0.72 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -6.64 19.07 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.71 2.273 . . . . 0.0 112.322 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -113.62 -29.84 7.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -55.84 -40.98 73.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.2 p -39.87 150.46 0.05 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.816 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -167.45 -125.23 0.76 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.474 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 36.3 ttp180 -128.67 99.53 5.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.878 0.37 . . . . 0.0 110.871 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.442 ' CE1' ' CD1' ' A' ' 43' ' ' TYR . 63.5 m-85 -90.02 107.78 19.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.0 p -127.34 124.42 38.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 36.0 t -91.23 136.64 32.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.919 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.3 m -106.42 132.57 52.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.702 ' CZ ' ' HB1' ' A' ' 36' ' ' ALA . 28.2 t80 -163.56 135.81 5.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 56.34 -116.6 7.7 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.489 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -115.19 -24.27 8.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.733 0.301 . . . . 0.0 110.862 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 26.8 mp0 -90.46 155.22 19.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 87.8 m -144.25 126.49 15.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.546 ' OG1' ' HB1' ' A' ' 14' ' ' ALA . 14.6 t -99.8 152.44 20.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.137 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 83.5 p -139.56 136.32 34.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -139.08 166.67 23.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.112 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 58.6 m -128.08 135.58 50.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.166 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.415 ' CD1' HD23 ' A' ' 18' ' ' LEU . 15.0 tp -99.67 125.44 45.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.955 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 55.3 m -95.36 106.42 18.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.126 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 59.4 t -96.78 118.46 43.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.142 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.8 m -85.12 124.57 31.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.112 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 96' ' ' LEU . . . -75.46 117.5 17.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.119 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.645 ' HG ' HD21 ' A' ' 21' ' ' LEU . 9.8 mt -35.75 145.48 0.22 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.627 0.727 . . . . 0.0 110.913 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.473 ' HD2' HD23 ' A' ' 96' ' ' LEU . 53.9 Cg_endo -69.73 177.37 5.63 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.716 2.277 . . . . 0.0 112.325 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.4 m -86.89 -53.25 5.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 148.46 -81.41 0.2 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.54 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 134.42 27.92 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.699 2.266 . . . . 0.0 112.384 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.4 t -133.76 177.68 7.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.4 t -134.92 100.8 4.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.832 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.487 179.967 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 t -70.75 -51.69 25.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.848 0.356 . . . . 0.0 110.866 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.7 p -131.64 149.83 52.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.93 147.48 10.87 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.51 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -86.56 160.82 18.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.862 0.363 . . . . 0.0 110.86 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.1 m -111.6 158.91 18.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.833 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.96 -158.3 7.53 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.44 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -177.94 2.11 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.657 2.238 . . . . 0.0 112.333 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 56.0 t -84.26 106.05 14.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.4 mtm105 -76.27 -175.03 3.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -124.56 86.95 2.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 46.2 tp60 -62.96 -53.44 54.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.871 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -132.17 74.54 1.59 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.871 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.918 ' HB1' HG21 ' A' ' 87' ' ' THR . . . -64.87 178.49 0.8 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.101 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.693 HD22 ' HB3' ' A' ' 28' ' ' LEU . 89.1 mt -55.93 148.28 17.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.955 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.12 151.33 51.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -42.0 154.79 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.5 mt -136.88 150.68 48.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -128.82 126.26 39.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.535 HG22 ' N ' ' A' ' 21' ' ' LEU . 2.6 p -157.17 160.18 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.136 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.535 ' N ' HG22 ' A' ' 20' ' ' VAL . 3.2 tp -107.06 131.6 53.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 21' ' ' LEU . 9.8 tp10 -37.78 125.7 1.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 112.42 41.08 1.07 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.475 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -160.53 -144.68 4.05 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.479 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.409 ' C ' HD11 ' A' ' 70' ' ' LEU . . . -139.58 153.17 47.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.783 0.325 . . . . 0.0 111.116 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -118.24 130.11 55.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.128 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 26.2 m -122.58 127.3 49.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.693 ' HB3' HD22 ' A' ' 15' ' ' LEU . 4.6 mp -109.11 132.45 54.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.888 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.4 mtm105 -124.26 131.84 53.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.5 p -150.55 131.68 14.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.849 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 46.9 t -103.45 136.06 38.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.191 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 22.2 mt -95.5 146.6 24.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 t -45.59 -31.79 2.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.1 m -140.89 174.45 10.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.831 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.789 HG22 ' HB2' ' A' ' 61' ' ' ALA . 84.6 t -85.11 95.65 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.147 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.03 129.9 38.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.864 ' HB1' ' HA ' ' A' ' 38' ' ' PRO . . . -174.96 166.97 2.01 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.609 0.718 . . . . 0.0 111.061 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.864 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 54.0 Cg_endo -69.75 -179.9 20.43 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.343 -0.014 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.9 m -123.01 175.32 6.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.7 tptp -110.82 122.18 47.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 52.8 m95 -99.98 160.11 14.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.921 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 46.5 t -152.28 119.93 6.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.702 ' HB3' HD11 ' A' ' 48' ' ' LEU . 4.3 t80 -146.89 111.13 5.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 43' ' ' TYR . . . 34.9 37.27 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.518 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 26.5 t30 -171.19 178.85 3.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.878 0.37 . . . . 0.0 110.849 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -70.74 -63.29 1.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 8.3 p -144.07 139.83 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.138 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.702 HD11 ' HB3' ' A' ' 43' ' ' TYR . 38.3 mt -88.58 146.2 25.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 47.9 mtp180 -124.26 143.99 44.38 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.596 0.712 . . . . 0.0 110.822 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 145.13 55.97 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.653 2.235 . . . . 0.0 112.372 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -179.75 -146.99 7.14 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.489 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -80.62 -46.61 15.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.874 0.369 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.1 tptt -61.32 -44.91 96.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -111.89 172.15 7.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.9 m -154.02 110.37 3.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.848 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.507 ' N ' HD12 ' A' ' 56' ' ' LEU . 6.5 mp -105.7 109.32 21.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 36.4 ttp180 -126.03 115.46 19.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.461 ' OE1' ' CD1' ' A' ' 63' ' ' LEU . 26.5 tp60 -85.79 137.71 32.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -133.35 82.55 2.0 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.21 -97.43 0.59 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.495 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.789 ' HB2' HG22 ' A' ' 35' ' ' VAL . . . -123.63 31.71 5.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.785 0.326 . . . . 0.0 111.137 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 18.1 tmm? -134.75 136.81 42.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.461 ' CD1' ' OE1' ' A' ' 58' ' ' GLN . 2.4 mm? -101.57 139.17 37.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.457 ' C ' ' OE1' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -128.65 127.07 41.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.916 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.8 tp -131.85 123.6 27.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 56.6 t -111.63 148.73 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 49.0 t -136.83 105.34 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 46.7 mtp180 -84.07 155.86 22.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 64.09 48.99 2.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.43 HD22 HD21 ' A' ' 91' ' ' LEU . 85.9 mt -53.92 152.41 5.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 84.3 mtm180 -143.86 151.87 54.08 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.601 0.715 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -2.43 10.16 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.696 2.264 . . . . 0.0 112.322 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -106.13 -26.45 11.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.1 -39.99 88.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 50.5 p -45.6 101.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.838 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -133.06 -120.41 2.12 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.504 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 19.7 ttm180 -129.0 94.3 3.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.851 0.358 . . . . 0.0 110.929 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.405 ' CE2' ' CG ' ' A' ' 43' ' ' TYR . 75.9 m-85 -87.83 103.88 16.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 82.7 p -117.36 145.22 44.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.834 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.9 t -118.2 110.53 17.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.858 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 70.6 m -97.63 127.95 43.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -162.75 109.63 1.23 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 91.99 -105.08 3.25 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.447 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -126.63 -41.08 1.88 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.798 0.332 . . . . 0.0 110.85 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -84.85 152.66 23.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 83.1 m -144.85 136.21 25.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.918 HG21 ' HB1' ' A' ' 14' ' ' ALA . 10.2 t -116.96 161.63 19.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.156 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 76.6 p -141.66 151.65 43.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.857 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -141.35 174.5 10.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.079 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 15.8 m -134.73 150.78 50.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.43 HD21 HD22 ' A' ' 70' ' ' LEU . 54.4 tp -115.81 136.47 53.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 40.0 m -103.46 112.0 24.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.188 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 59.9 t -122.79 108.7 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.164 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.455 ' HB ' HD12 ' A' ' 21' ' ' LEU . 27.1 m -90.49 135.73 33.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.76 121.7 13.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.084 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.434 ' CD2' ' HD2' ' A' ' 97' ' ' PRO . 13.8 mt -40.21 152.9 0.21 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.609 0.719 . . . . 0.0 110.906 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 98' ' ' SER . 53.1 Cg_endo -69.84 2.61 3.42 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.687 2.258 . . . . 0.0 112.305 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 97' ' ' PRO . 5.2 t -34.8 116.31 0.32 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 154.75 -160.15 29.45 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.472 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 110.4 2.54 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.68 2.254 . . . . 0.0 112.318 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 43.6 m -129.7 144.22 51.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.0 t -90.29 108.78 19.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.887 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.494 179.994 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -138.22 129.55 27.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.876 0.37 . . . . 0.0 110.83 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.8 t -43.07 -49.52 6.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.848 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.65 77.23 1.67 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.484 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -107.31 -53.2 2.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.864 0.364 . . . . 0.0 110.806 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.7 p -68.2 140.12 56.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.67 146.01 9.73 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.448 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 175.21 8.4 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.668 2.245 . . . . 0.0 112.335 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.558 HG13 ' HB3' ' A' ' 33' ' ' SER . 89.6 t -104.86 137.44 34.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.09 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 55.9 mtt-85 -104.98 149.91 25.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.43 ' HB3' ' HB2' ' A' ' 14' ' ' ALA . 8.3 m-85 -74.94 104.9 5.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.48 ' HG3' ' N ' ' A' ' 13' ' ' GLU . 1.8 pt20 -83.86 -36.54 23.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.931 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.48 ' N ' ' HG3' ' A' ' 12' ' ' GLN . 8.2 mm-40 -134.97 50.87 2.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.43 ' HB2' ' HB3' ' A' ' 11' ' ' PHE . . . -45.47 165.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.123 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.525 HD22 ' HB3' ' A' ' 28' ' ' LEU . 6.6 mt -54.0 173.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.929 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.503 ' O ' ' CD1' ' A' ' 18' ' ' LEU . 32.8 mtmt -154.41 134.48 13.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.912 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -40.11 119.21 1.0 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.861 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.503 ' CD1' ' O ' ' A' ' 16' ' ' LYS . 3.0 mp -110.06 164.47 12.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -128.07 122.74 32.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.555 HG11 ' CD1' ' A' ' 70' ' ' LEU . 97.3 t -141.72 155.31 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.72 HD23 ' N ' ' A' ' 22' ' ' GLU . 4.4 tt -90.06 147.55 23.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.938 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.72 ' N ' HD23 ' A' ' 21' ' ' LEU . 5.5 pt-20 -60.54 142.63 55.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.52 37.84 8.58 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -149.25 -141.86 3.5 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.544 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -142.19 141.23 32.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.818 0.342 . . . . 0.0 111.09 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -112.89 116.87 30.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.086 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 25.3 m -102.31 113.21 26.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.802 HD13 HD23 ' A' ' 65' ' ' LEU . 5.1 mp -92.88 142.06 27.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 55.6 mtt180 -126.38 147.6 49.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 27.1 p -172.78 127.93 0.49 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.476 HG13 ' O ' ' A' ' 61' ' ' ALA . 59.7 t -103.37 146.71 10.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.803 HD22 ' CE2' ' A' ' 82' ' ' PHE . 8.8 mt -103.89 148.24 26.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.558 ' HB3' HG13 ' A' ' 9' ' ' VAL . 3.6 t -38.23 -43.55 0.79 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.826 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 81.7 p -139.26 172.32 12.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.61 HG13 ' O ' ' A' ' 60' ' ' GLY . 53.8 t -75.49 95.96 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.146 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -124.73 135.33 52.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.059 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.866 ' HB1' ' HA ' ' A' ' 38' ' ' PRO . . . -175.07 167.45 1.9 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.576 0.703 . . . . 0.0 111.106 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.866 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 54.4 Cg_endo -69.71 -179.52 19.3 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.347 -0.021 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.1 m -120.33 176.16 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.108 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 39.5 tttt -126.58 124.82 40.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.529 ' CZ3' HD22 ' A' ' 65' ' ' LEU . 62.5 m95 -110.15 112.5 24.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.1 p -127.04 125.16 40.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -116.04 94.12 4.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.37 -152.56 43.43 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.488 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 23.2 m-20 -49.57 -58.96 4.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.827 0.346 . . . . 0.0 110.872 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -70.64 171.23 10.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.1 t -119.16 132.91 67.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.127 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 81.5 mt -68.33 118.88 12.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.923 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.2 mmm180 -114.01 145.98 34.71 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.599 0.714 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 155.77 65.1 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.702 2.268 . . . . 0.0 112.318 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 150.89 -120.2 1.08 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.519 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -99.85 -43.93 6.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.83 0.348 . . . . 0.0 110.863 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.455 ' CG ' ' CE2' ' A' ' 54' ' ' TYR . 17.0 tptm -54.34 -53.59 51.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.455 ' CE2' ' CG ' ' A' ' 53' ' ' LYS . 12.8 m-85 -125.29 171.89 10.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.944 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.1 t -134.29 119.18 18.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.82 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 28.9 mt -113.19 93.52 4.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.953 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 20.2 ttp180 -102.46 118.09 36.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.432 ' NE2' ' HB2' ' A' ' 37' ' ' ALA . 36.3 tp60 -89.04 127.57 35.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -141.08 124.3 16.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.61 ' O ' HG13 ' A' ' 35' ' ' VAL . . . 41.73 -112.22 0.38 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.488 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.572 ' HB2' HG22 ' A' ' 35' ' ' VAL . . . -120.54 35.3 4.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.745 0.307 . . . . 0.0 111.083 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.467 ' CE ' HG23 ' A' ' 31' ' ' VAL . 5.1 ttm -137.23 143.13 42.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.605 HD21 HD11 ' A' ' 32' ' ' LEU . 3.2 mm? -106.95 151.07 25.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.894 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -135.82 124.15 23.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.802 HD23 HD13 ' A' ' 28' ' ' LEU . 4.5 tp -126.88 114.89 18.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 91.0 t -104.13 131.17 53.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.4 t -117.22 108.05 23.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.105 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 26.1 mtp85 -87.14 162.79 17.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.843 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 64.44 51.76 1.96 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.555 ' CD1' HG11 ' A' ' 20' ' ' VAL . 81.9 mt -64.53 153.92 37.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 26.0 mmm180 -147.36 156.64 46.02 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.577 0.703 . . . . 0.0 110.9 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -19.33 36.37 Favored 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.709 2.273 . . . . 0.0 112.366 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 18.1 pm0 -102.26 -24.89 13.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -56.23 -37.99 70.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.614 ' OG ' HG23 ' A' ' 93' ' ' VAL . 15.7 m -40.39 112.42 0.28 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -137.4 -141.35 4.21 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.486 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 18.8 ttp180 -116.71 101.94 9.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.785 0.326 . . . . 0.0 110.894 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -90.14 124.35 34.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 68.1 m -123.83 134.83 53.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 2.9 t -110.73 121.24 44.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.3 t -100.28 131.95 45.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.803 ' CE2' HD22 ' A' ' 32' ' ' LEU . 1.2 t80 -164.29 117.74 1.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 79.65 -115.58 4.11 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.488 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -113.93 -41.76 3.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.771 0.319 . . . . 0.0 110.904 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -82.65 159.05 22.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 38.8 m -145.82 117.72 8.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.177 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.8 t -94.42 156.28 16.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.163 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 97.8 p -141.29 136.52 31.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -134.91 175.22 9.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.064 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 96.1 m -128.21 144.45 51.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 21.5 tp -110.75 138.37 47.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.941 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 47.2 m -106.57 129.97 54.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.147 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.614 HG23 ' OG ' ' A' ' 75' ' ' SER . 52.7 t -126.3 123.06 62.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.171 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 25.4 m -93.04 129.22 39.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.146 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 96' ' ' LEU . . . -75.5 124.54 27.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.078 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.45 ' C ' ' O ' ' A' ' 95' ' ' ALA . 37.7 mt -34.43 148.39 0.1 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.609 0.718 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 144.24 53.4 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.69 2.26 . . . . 0.0 112.353 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 85.9 p -134.94 108.92 8.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.813 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -84.04 176.4 51.84 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.517 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -8.91 24.81 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.688 2.259 . . . . 0.0 112.324 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.9 t -77.56 -57.43 3.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 23.1 t -99.72 102.79 14.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.833 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.47 179.968 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 22.2 t . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.819 0.342 . . . . 0.0 111.151 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -65.24 163.36 15.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -110.92 87.69 2.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.3 tp60 -59.89 -55.42 34.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -133.25 73.8 1.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.71 ' HB1' ' OG1' ' A' ' 87' ' ' THR . . . -60.72 -178.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.155 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.65 HD22 ' HB3' ' A' ' 28' ' ' LEU . 4.4 mt -70.25 139.2 52.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.933 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.4 mmtp -117.89 165.92 13.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -52.03 132.59 32.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.432 ' CD1' ' HG ' ' A' ' 28' ' ' LEU . 7.1 mt -113.58 145.65 40.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.918 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -120.82 111.83 18.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.569 HG21 ' CD1' ' A' ' 70' ' ' LEU . 1.0 OUTLIER -142.22 152.26 18.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.105 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.627 HD23 ' N ' ' A' ' 22' ' ' GLU . 5.7 tt -101.61 147.8 25.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.627 ' N ' HD23 ' A' ' 21' ' ' LEU . 18.6 tt0 -58.31 123.13 15.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 124.11 27.62 1.35 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.478 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -156.3 -144.33 3.9 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.511 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -137.93 146.25 43.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.778 0.323 . . . . 0.0 111.105 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -112.89 122.02 46.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.112 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.421 ' CG2' ' HG2' ' A' ' 64' ' ' GLU . 45.4 m -118.92 109.5 16.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.143 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.65 ' HB3' HD22 ' A' ' 15' ' ' LEU . 2.6 mp -82.07 158.75 23.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 50.6 mtm180 -144.56 144.66 31.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.5 p -162.42 132.77 4.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 99.1 t -104.3 128.48 57.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.7 mt -83.76 158.4 21.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.0 t -68.16 -25.37 65.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.7 t -142.2 149.71 40.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.3 t -75.66 112.54 13.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.098 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.64 152.35 36.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.861 ' HB1' ' HA ' ' A' ' 38' ' ' PRO . . . -174.95 166.94 2.02 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.59 0.709 . . . . 0.0 111.075 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.861 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 53.4 Cg_endo -69.79 174.49 40.45 Favored 'Cis proline' 0 C--O 1.231 0.148 0 C-N-CA 122.74 -1.775 . . . . 0.0 112.302 0.028 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.732 HG21 HD11 ' A' ' 63' ' ' LEU . 94.7 t -112.62 163.31 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.611 ' N ' HG12 ' A' ' 39' ' ' VAL . 20.5 tttt -113.12 136.96 52.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.967 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.736 ' CD1' HD22 ' A' ' 56' ' ' LEU . 33.7 m95 -120.45 128.48 53.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.938 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.0 p -133.81 146.29 50.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.94 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -141.64 106.47 4.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 85.16 -101.67 2.54 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.488 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -114.91 -55.24 2.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.858 0.361 . . . . 0.0 110.908 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -73.31 163.09 28.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 8.1 p -94.42 136.59 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 97.2 mt -73.17 147.21 45.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 49.5 mtt180 -132.34 146.51 61.87 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.598 0.713 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 130.78 19.88 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.677 2.251 . . . . 0.0 112.36 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -172.94 -143.2 4.1 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.492 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -81.09 -56.96 3.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.874 0.369 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.4 tptm -51.61 -51.2 57.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -114.34 152.11 31.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.3 t -135.58 107.42 7.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.82 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.736 HD22 ' CD1' ' A' ' 41' ' ' TRP . 2.8 mt -98.6 137.35 37.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 24.9 mmt-85 -141.18 135.74 31.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.3 tm0? -123.94 132.64 53.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.946 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -158.97 117.38 2.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 45.82 76.42 0.13 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.471 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 40.19 49.58 2.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.755 0.312 . . . . 0.0 111.103 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.462 ' C ' HD22 ' A' ' 63' ' ' LEU . 7.7 ttt -145.23 129.74 17.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.732 HD11 HG21 ' A' ' 39' ' ' VAL . 1.9 mm? -110.7 158.93 18.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.941 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.825 ' OE1' HG23 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -151.77 110.52 3.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.5 tp -115.6 112.27 21.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.825 HG23 ' OE1' ' A' ' 64' ' ' GLU . 48.9 t -95.8 144.4 10.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.117 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.7 t -131.89 107.77 13.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.102 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 23.1 mmt180 -85.9 164.34 17.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 58.47 45.52 16.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.569 ' CD1' HG21 ' A' ' 20' ' ' VAL . 13.0 mt -49.66 126.94 14.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 39.4 mtp85 -130.6 154.02 81.61 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.648 0.737 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -3.84 12.8 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.678 2.252 . . . . 0.0 112.364 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -107.9 -4.92 17.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -82.48 -29.69 30.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 69.5 m -48.31 114.09 0.88 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -146.39 -138.39 3.18 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.472 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -125.79 97.77 5.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.839 0.352 . . . . 0.0 110.947 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -90.89 107.49 19.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.9 p -117.19 129.93 56.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 23.3 t -96.46 123.35 40.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 41.7 m -94.31 107.87 19.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.843 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.401 ' CE1' ' HA ' ' A' ' 39' ' ' VAL . 2.7 t80 -152.16 124.65 8.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.899 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 83.45 -138.32 17.53 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.45 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -101.52 -27.18 13.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.756 0.313 . . . . 0.0 110.874 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -101.36 159.64 15.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 17.4 m -131.62 144.33 50.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.71 ' OG1' ' HB1' ' A' ' 14' ' ' ALA . 10.3 t -112.54 162.21 15.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 45.2 t -155.02 136.87 14.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.828 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -138.21 173.1 11.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.061 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 90.8 m -130.38 139.97 50.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.196 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 34.1 tp -102.66 147.28 27.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 56.6 m -114.58 116.12 28.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.136 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 62.0 t -123.28 114.11 40.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.126 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 8.0 m -94.04 128.64 40.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 96' ' ' LEU . . . -66.48 119.8 12.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.091 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.458 HD23 ' HD2' ' A' ' 97' ' ' PRO . 5.3 mt -35.82 144.0 0.26 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.556 0.694 . . . . 0.0 110.94 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.458 ' HD2' HD23 ' A' ' 96' ' ' LEU . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.156 0 C-N-CA 122.684 2.256 . . . . 0.0 112.311 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.2 t . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.82 0.343 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -74.07 143.78 45.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -81.57 92.94 6.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -63.04 -57.26 11.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -130.02 66.19 1.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.592 ' HB1' ' OG1' ' A' ' 87' ' ' THR . . . -54.47 172.42 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.072 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.7 mt -49.38 168.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.7 mtmt -140.79 171.73 13.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -76.35 123.13 25.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.6 mp -121.71 151.61 40.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -136.92 124.11 21.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.526 HG12 ' N ' ' A' ' 21' ' ' LEU . 98.2 t -142.13 158.74 20.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.618 HD12 ' HB ' ' A' ' 94' ' ' THR . 2.4 tp -83.87 143.59 29.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -51.53 166.85 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.69 36.27 92.12 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.506 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -144.23 -145.99 4.44 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.526 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -142.03 143.99 33.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.826 0.346 . . . . 0.0 111.103 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -116.85 114.74 24.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.112 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 12.0 m -104.53 105.47 15.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.594 ' N ' HD12 ' A' ' 28' ' ' LEU . 2.8 mp -91.15 150.94 21.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 26.2 mtt85 -139.51 151.99 46.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.0 p -164.15 139.46 6.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 82.3 t -115.33 143.99 23.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.404 ' N ' HD12 ' A' ' 32' ' ' LEU . 3.6 mp -110.1 156.72 20.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.953 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.1 t -53.46 -35.81 60.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.839 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.6 m -135.87 172.24 13.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.515 HG13 ' H ' ' A' ' 61' ' ' ALA . 5.9 t -92.2 105.44 16.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.422 ' HB3' ' HE2' ' A' ' 82' ' ' PHE . . . -136.94 132.51 34.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.098 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.872 ' HB1' ' HA ' ' A' ' 38' ' ' PRO . . . -161.54 167.02 13.77 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.605 0.717 . . . . 0.0 111.1 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.872 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 54.3 Cg_endo -69.65 174.32 40.66 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.728 -1.78 . . . . 0.0 112.381 -0.108 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.485 HG12 ' N ' ' A' ' 40' ' ' LYS . 30.5 t -115.4 158.05 15.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.115 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.485 ' N ' HG12 ' A' ' 39' ' ' VAL . 59.3 tttt -106.76 120.07 41.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.927 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.764 ' CD1' HD23 ' A' ' 56' ' ' LEU . 21.1 m95 -97.43 152.78 18.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 51.6 t -141.01 128.61 21.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.863 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.401 ' HB2' HD11 ' A' ' 48' ' ' LEU . 5.2 t80 -125.19 103.73 8.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.43 -88.21 0.2 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.501 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -124.61 -56.97 1.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.879 0.371 . . . . 0.0 110.872 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -66.64 159.45 27.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.428 ' O ' HG13 ' A' ' 47' ' ' VAL . 8.8 p -93.77 129.35 44.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.151 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.401 HD11 ' HB2' ' A' ' 43' ' ' TYR . 83.7 mt -69.19 140.49 54.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 32.9 mtp180 -132.27 143.97 51.14 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.592 0.71 . . . . 0.0 110.879 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 138.51 38.12 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.7 2.267 . . . . 0.0 112.337 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -178.72 -111.0 0.29 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.516 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -112.36 -60.6 1.84 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.856 0.36 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.408 ' HD2' ' CZ ' ' A' ' 54' ' ' TYR . 2.0 tmtt? -48.4 -49.33 35.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.408 ' CZ ' ' HD2' ' A' ' 53' ' ' LYS . 82.4 m-85 -107.28 168.03 9.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.2 t -148.45 105.86 3.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.854 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.764 HD23 ' CD1' ' A' ' 41' ' ' TRP . 5.1 mp -113.87 132.88 55.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.932 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 18.5 ttt85 -138.4 159.87 40.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.598 ' OE1' HD11 ' A' ' 63' ' ' LEU . 31.8 tp60 -121.41 132.8 54.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 60' ' ' GLY . 20.2 tt0 -150.27 106.23 3.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 59' ' ' GLU . . . 34.36 72.17 0.11 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.523 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.515 ' H ' HG13 ' A' ' 35' ' ' VAL . . . 51.96 49.56 20.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.752 0.311 . . . . 0.0 111.121 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.8 ttm -146.69 112.31 5.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.598 HD11 ' OE1' ' A' ' 58' ' ' GLN . 2.7 mm? -105.77 136.19 45.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.932 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -130.71 110.11 11.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.662 HD22 ' CZ3' ' A' ' 41' ' ' TRP . 4.0 tp -102.99 117.49 34.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.2 t -104.77 138.91 27.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.083 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 95.3 t -129.95 116.2 36.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.113 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 19.5 mmt85 -93.15 163.45 13.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.5 m120 56.63 52.61 9.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 18.0 mt -63.26 143.84 57.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.95 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.0 mtp180 -142.85 152.33 58.74 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.629 0.728 . . . . 0.0 110.831 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . 0.481 ' HG2' ' NE2' ' A' ' 73' ' ' GLN . 53.5 Cg_endo -69.81 1.64 4.28 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.674 2.249 . . . . 0.0 112.328 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.481 ' NE2' ' HG2' ' A' ' 72' ' ' PRO . 22.7 mp0 -103.29 -25.04 13.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 75' ' ' SER . 3.4 m-20 -76.44 -33.19 58.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.874 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 74' ' ' ASP . 6.1 p -36.09 124.57 0.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -162.01 -137.05 2.11 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 8.2 ttp-105 -124.01 110.94 15.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.782 0.325 . . . . 0.0 110.821 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -97.15 113.83 25.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.4 p -117.43 162.67 17.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 44.1 t -131.38 112.09 12.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.8 t -85.45 128.2 34.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.422 ' HE2' ' HB3' ' A' ' 36' ' ' ALA . 2.2 t80 -161.93 131.61 4.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.858 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 57.07 -128.16 46.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.508 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -103.36 -21.68 13.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.767 0.318 . . . . 0.0 110.847 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -98.65 140.58 32.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.933 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 83.7 m -129.75 134.67 47.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.592 ' OG1' ' HB1' ' A' ' 14' ' ' ALA . 14.6 t -103.16 158.25 16.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.16 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 89.2 p -151.35 122.4 7.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -121.57 171.93 8.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.086 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 99.1 m -127.88 143.44 51.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 15.2 tp -122.38 127.17 49.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.971 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 84.8 m -101.46 122.15 43.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.145 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 47.7 t -117.18 111.24 34.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.618 ' HB ' HD12 ' A' ' 21' ' ' LEU . 9.7 m -84.1 147.04 27.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.179 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 96' ' ' LEU . . . -92.87 123.43 36.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.087 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 95' ' ' ALA . 12.6 mt -36.88 151.06 0.12 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.677 0.751 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.342 0.186 0 C-N-CA 122.665 2.243 . . . . 0.0 112.32 179.88 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.0 t . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.83 0.348 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -98.74 172.71 7.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.835 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -94.95 92.46 6.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -69.23 -53.75 18.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -127.53 64.94 1.34 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.587 ' HB1' ' OG1' ' A' ' 87' ' ' THR . . . -56.67 -175.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 31.9 mt -64.53 169.68 4.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? -148.03 174.24 12.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.4 p-10 -66.65 135.72 54.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.862 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.469 ' CD1' ' HG ' ' A' ' 28' ' ' LEU . 11.5 mt -129.99 152.55 49.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -136.62 129.4 30.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.625 HG12 ' N ' ' A' ' 21' ' ' LEU . 96.2 t -151.15 164.32 2.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.707 HD12 ' HB ' ' A' ' 94' ' ' THR . 17.5 tp -92.05 152.66 19.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.934 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -66.76 153.35 43.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.57 27.25 43.55 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.503 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -140.96 -141.05 3.93 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.476 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -141.39 145.59 35.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.809 0.338 . . . . 0.0 111.078 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.754 ' HB2' HD11 ' A' ' 70' ' ' LEU . . . -114.7 118.18 32.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.065 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 38.8 m -107.89 123.9 49.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.469 ' HG ' ' CD1' ' A' ' 18' ' ' LEU . 5.2 mp -105.32 158.35 16.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.0 mmt85 -142.68 150.26 39.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.418 ' SG ' HD23 ' A' ' 63' ' ' LEU . 29.1 p -166.45 127.09 1.68 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 37.9 t -108.85 132.68 56.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.482 HD11 ' CD2' ' A' ' 63' ' ' LEU . 4.0 mp -102.77 163.77 12.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 83.5 p -58.29 -22.93 54.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.4 m -163.31 148.86 11.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.856 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.45 ' HB ' ' N ' ' A' ' 61' ' ' ALA . 1.9 p -63.72 133.9 29.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.115 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.554 ' CB ' ' CZ ' ' A' ' 82' ' ' PHE . . . -146.17 151.16 37.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.098 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.859 ' HB1' ' HA ' ' A' ' 38' ' ' PRO . . . -174.08 167.03 2.42 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.557 0.694 . . . . 0.0 111.101 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.859 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 53.9 Cg_endo -69.72 158.83 90.47 Favored 'Cis proline' 0 C--O 1.231 0.152 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.363 -0.046 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.3 t -109.84 144.24 18.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.117 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.422 ' HD2' ' N ' ' A' ' 41' ' ' TRP . 1.4 tmmm? -105.55 136.34 45.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.422 ' N ' ' HD2' ' A' ' 40' ' ' LYS . 39.6 m95 -120.05 110.6 16.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.911 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.5 t -131.2 137.58 49.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.826 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.421 ' O ' ' CG ' ' A' ' 43' ' ' TYR . 2.9 t80 -121.47 96.1 4.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.991 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 76.49 -110.58 3.07 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.471 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -89.94 -67.14 0.86 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.815 0.34 . . . . 0.0 110.881 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 57.0 m-80 -59.41 159.84 7.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 93.2 t -111.28 124.69 68.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.161 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.4 mt -76.94 131.34 38.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 69.8 mtp180 -131.7 151.36 78.48 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.645 0.736 . . . . 0.0 110.844 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 142.28 47.84 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.676 2.251 . . . . 0.0 112.369 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -176.8 -111.83 0.3 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.511 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -110.76 -38.38 5.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.871 0.367 . . . . 0.0 110.873 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.6 mmmt -75.76 -53.74 8.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -95.12 157.83 15.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.7 t -138.66 111.91 8.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.843 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.6 mt -107.08 114.87 29.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.921 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -122.12 112.32 18.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.493 HE22 ' HB2' ' A' ' 37' ' ' ALA . 54.2 tt0 -91.56 126.62 36.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 60' ' ' GLY . 36.0 mm-40 -126.76 82.81 2.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 59' ' ' GLU . . . 34.42 89.65 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.451 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.45 ' N ' ' HB ' ' A' ' 35' ' ' VAL . . . 64.63 48.54 2.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.795 0.331 . . . . 0.0 111.1 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.657 ' C ' HD22 ' A' ' 63' ' ' LEU . 6.1 tmm? -163.21 137.01 5.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.705 ' N ' HD22 ' A' ' 63' ' ' LEU . 1.1 mm? -127.93 150.1 50.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.928 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -144.6 114.69 7.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.7 tp -111.43 104.7 13.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 43.0 t -94.43 121.42 45.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.164 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.1 t -113.74 110.27 31.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.3 mmm-85 -83.77 168.19 16.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.8 m120 59.47 50.47 7.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.754 HD11 ' HB2' ' A' ' 26' ' ' ALA . 11.9 mt -60.74 144.4 52.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 48.4 mmm-85 -145.17 150.75 46.29 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.626 0.727 . . . . 0.0 110.849 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -15.81 37.1 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.689 2.259 . . . . 0.0 112.301 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -89.26 -5.5 57.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.935 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -98.55 -12.04 21.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.4 m -45.46 107.65 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.819 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -150.06 -163.47 11.17 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.437 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 51.4 ttp180 -120.97 119.9 33.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.841 0.353 . . . . 0.0 110.881 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -87.91 163.39 16.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 44.3 t -158.31 125.11 4.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.879 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 2.9 t -102.02 112.53 25.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.1 t -85.74 127.65 34.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.841 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.554 ' CZ ' ' CB ' ' A' ' 36' ' ' ALA . 19.6 t80 -155.53 132.0 10.35 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 59.47 -113.34 5.1 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.495 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -116.74 -35.6 4.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.787 0.327 . . . . 0.0 110.924 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -81.81 152.1 27.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 66.8 m -143.08 137.06 28.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.135 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.587 ' OG1' ' HB1' ' A' ' 14' ' ' ALA . 13.2 t -122.47 156.91 33.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 54.2 p -146.95 151.15 36.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -140.75 151.58 44.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.058 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 95.3 m -99.33 138.72 36.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 31.0 tp -115.51 122.73 46.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.937 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 63.4 m -102.58 123.67 46.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.128 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 58.2 t -115.23 127.62 72.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.161 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.707 ' HB ' HD12 ' A' ' 21' ' ' LEU . 86.6 m -88.72 139.36 30.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -91.78 129.63 37.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.09 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 69.9 mt -43.69 145.01 1.24 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.628 0.728 . . . . 0.0 110.931 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.342 0.202 0 C-N-CA 122.657 2.238 . . . . 0.0 112.321 179.911 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.576 HG21 ' HZ ' ' A' ' 82' ' ' PHE . 23.7 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.857 0.361 . . . . 0.0 111.11 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -105.18 131.07 53.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.461 ' HB3' ' HB2' ' A' ' 14' ' ' ALA . 10.8 m-85 -66.68 76.21 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -52.16 -49.02 64.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.864 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.9 mp0 -134.35 78.14 1.74 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.461 ' HB2' ' HB3' ' A' ' 11' ' ' PHE . . . -77.6 -177.36 4.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 76.7 mt -45.09 169.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.936 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 47.5 pttt -159.11 162.94 36.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -50.17 140.14 13.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.849 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.462 ' HB2' HD12 ' A' ' 91' ' ' LEU . 45.4 mt -129.03 157.69 40.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -133.59 120.12 20.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.488 HG22 ' N ' ' A' ' 21' ' ' LEU . 3.3 p -154.59 157.27 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.184 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.6 HD23 ' O ' ' A' ' 22' ' ' GLU . 10.0 tt -112.53 142.04 45.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.6 ' O ' HD23 ' A' ' 21' ' ' LEU . 4.5 tm-20 -47.26 124.54 6.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 121.75 32.06 1.06 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.469 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -160.91 -143.65 3.74 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.512 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.404 ' C ' HD11 ' A' ' 70' ' ' LEU . . . -140.93 156.84 46.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.79 0.329 . . . . 0.0 111.102 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -112.08 131.86 55.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.074 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 94.2 m -117.61 96.17 5.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.518 HD13 HD23 ' A' ' 65' ' ' LEU . 5.0 mp -82.35 126.32 32.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.943 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.5 mmt180 -116.63 150.09 38.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -165.97 129.63 2.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.841 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.527 HG22 ' HG3' ' A' ' 62' ' ' MET . 46.1 t -110.24 133.23 56.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.126 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.551 HD13 ' CE2' ' A' ' 82' ' ' PHE . 3.6 mt -101.49 165.79 11.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.0 t -54.47 -20.08 6.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.5 t -171.61 148.26 2.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.594 ' N ' ' HB2' ' A' ' 61' ' ' ALA . 1.9 p -57.22 118.71 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.187 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.8 134.37 40.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.872 ' HB1' ' HA ' ' A' ' 38' ' ' PRO . . . -165.97 166.94 9.27 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.553 0.692 . . . . 0.0 111.112 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.872 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 53.7 Cg_endo -69.73 152.67 92.46 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.343 -0.037 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.0 m -100.84 175.59 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.151 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 65.8 tttt -123.66 126.39 46.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 30.5 m95 -119.27 105.11 11.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.97 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.414 ' HB3' HG23 ' A' ' 47' ' ' VAL . 23.7 p -129.43 146.94 51.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.401 ' O ' ' CG ' ' A' ' 43' ' ' TYR . 3.2 t80 -127.83 95.44 4.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 99.31 -102.02 2.49 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.468 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -111.77 -54.91 2.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.804 0.335 . . . . 0.0 110.854 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -74.12 167.96 20.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.414 HG23 ' HB3' ' A' ' 42' ' ' CYS . 6.7 p -107.16 139.51 28.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.156 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.4 mt -79.73 147.6 31.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 28.1 mtp85 -126.17 144.55 49.38 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.579 0.704 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.465 ' HB3' HD13 ' A' ' 56' ' ' LEU . 53.8 Cg_endo -69.73 153.7 68.73 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.644 2.23 . . . . 0.0 112.339 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 166.94 -142.19 7.42 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.507 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.79 -58.63 3.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.884 0.373 . . . . 0.0 110.86 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.0 tptp -51.16 -46.59 62.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -105.13 177.23 4.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.0 m -158.73 105.86 1.84 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.465 HD13 ' HB3' ' A' ' 50' ' ' PRO . 6.8 mp -102.2 118.86 37.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.878 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -132.12 120.89 22.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.444 ' OE1' ' HB2' ' A' ' 37' ' ' ALA . 52.4 tt0 -108.09 118.07 35.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.893 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -111.38 82.96 1.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 41.66 90.22 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.506 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.594 ' HB2' ' N ' ' A' ' 35' ' ' VAL . . . 58.98 52.77 6.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.822 0.344 . . . . 0.0 111.131 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.527 ' HG3' HG22 ' A' ' 31' ' ' VAL . 2.1 ttt -168.33 109.71 0.55 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -93.28 153.64 18.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -148.04 107.99 4.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.518 HD23 HD13 ' A' ' 28' ' ' LEU . 8.0 tp -107.37 112.5 25.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.938 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.4 t -100.39 126.9 53.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 97.1 t -117.41 106.9 20.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.132 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -79.14 155.86 28.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.463 ' O ' ' CD ' ' A' ' 71' ' ' ARG . 27.6 m-20 63.27 54.66 1.99 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.404 HD11 ' C ' ' A' ' 25' ' ' ALA . 17.8 mt -58.83 161.41 4.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.463 ' CD ' ' O ' ' A' ' 69' ' ' ASN . 0.0 OUTLIER -166.5 152.51 8.0 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.645 0.736 . . . . 0.0 110.868 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -13.05 34.19 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.732 2.288 . . . . 0.0 112.344 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -83.74 -8.54 59.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.922 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -89.95 -28.12 19.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 25.1 m -40.38 102.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -141.18 -133.66 2.95 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.552 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 53.8 ttp180 -129.13 106.53 8.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.798 0.333 . . . . 0.0 110.888 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -95.6 121.47 37.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.936 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 35.4 p -133.43 123.89 26.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 51.9 t -93.94 115.73 28.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 29.5 t -86.94 126.27 34.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.576 ' HZ ' HG21 ' A' ' 9' ' ' VAL . 6.6 t80 -161.34 138.96 9.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.849 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 61.18 -112.62 4.88 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.501 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 -122.86 -32.04 3.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.794 0.33 . . . . 0.0 110.859 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -81.43 159.49 24.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.8 m -138.99 124.41 19.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.15 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.1 t -97.91 159.73 14.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 52.9 p -151.74 132.79 14.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.82 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -142.5 172.87 12.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.113 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 28.7 m -133.35 143.24 48.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.462 HD12 ' HB2' ' A' ' 18' ' ' LEU . 54.5 tp -99.37 142.28 31.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 95.4 m -107.52 100.27 9.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.3 t -111.12 120.24 61.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.103 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 31.6 m -82.05 132.98 35.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.153 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.59 108.29 2.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.082 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.801 ' C ' HD12 ' A' ' 96' ' ' LEU . 0.4 OUTLIER -41.14 144.03 0.71 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.62 0.724 . . . . 0.0 110.918 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.53 ' N ' HD12 ' A' ' 96' ' ' LEU . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.173 0 C-N-CA 122.692 2.261 . . . . 0.0 112.376 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 36.6 t . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.848 0.356 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.7 mmt180 -86.39 163.53 17.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -97.25 87.97 4.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.9 tp60 -62.55 -56.74 15.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -127.69 67.59 1.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.53 179.35 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.7 mt -61.79 169.76 2.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.5 mtpt -152.17 135.83 16.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.944 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -39.23 121.8 1.19 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.6 mp -109.79 164.51 12.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -135.09 124.03 24.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.853 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.8 t -148.74 152.02 12.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.179 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.7 HD12 ' HB ' ' A' ' 94' ' ' THR . 6.7 tp -96.33 141.56 29.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.953 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -55.5 126.04 23.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 129.2 18.4 1.68 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.496 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -153.55 -140.94 3.16 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.447 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -137.44 158.23 44.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.787 0.327 . . . . 0.0 111.097 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -117.42 121.44 41.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.8 m -102.09 111.7 24.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.19 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.5 mp -100.88 116.93 33.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 44.1 mtm180 -113.44 156.03 24.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.0 p -165.97 137.04 3.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 87.2 t -112.19 137.71 43.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.1 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.461 HD11 HD21 ' A' ' 63' ' ' LEU . 34.0 mt -99.91 168.85 9.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.8 t -63.09 -26.74 68.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.9 p -156.71 -177.54 6.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 41.5 t -83.63 91.68 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.141 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -117.49 142.76 46.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.058 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.841 ' HB1' ' HA ' ' A' ' 38' ' ' PRO . . . -173.88 166.98 2.53 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.608 0.718 . . . . 0.0 111.092 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.841 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 53.9 Cg_endo -69.69 176.48 32.2 Favored 'Cis proline' 0 C--N 1.342 0.187 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.384 -0.074 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.503 HG22 ' N ' ' A' ' 40' ' ' LYS . 7.6 p -115.25 157.54 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.503 ' N ' HG22 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -116.59 118.17 31.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.877 179.907 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.616 ' CE3' HD22 ' A' ' 65' ' ' LEU . 23.3 m95 -104.29 111.41 24.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.0 t -110.17 136.6 49.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.637 ' HB3' HD21 ' A' ' 48' ' ' LEU . 9.9 t80 -150.7 114.43 4.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 69.1 -122.8 13.47 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.5 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 17.0 m-20 -118.44 50.33 1.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.869 0.366 . . . . 0.0 110.929 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -171.57 160.43 5.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 75.2 t -99.29 119.18 46.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.162 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.637 HD21 ' HB3' ' A' ' 43' ' ' TYR . 33.7 mt -64.17 131.04 46.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 64.4 mtt180 -131.06 151.65 79.3 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.6 0.714 . . . . 0.0 110.838 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 137.79 36.3 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.678 2.252 . . . . 0.0 112.336 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -175.51 -110.16 0.25 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.492 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -112.55 -47.43 3.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.859 0.361 . . . . 0.0 110.866 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.6 tptt -72.49 -46.15 56.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.442 ' CE1' HG22 ' A' ' 67' ' ' VAL . 40.4 m-85 -112.12 162.32 15.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.942 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.3 t -146.8 123.77 11.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -109.59 113.63 26.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.7 tpp180 -132.31 142.42 49.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -117.96 138.08 52.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -133.46 86.08 2.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 44.1 78.8 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.442 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 62.52 48.22 4.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.81 0.338 . . . . 0.0 111.075 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 4.4 tmm? -158.79 119.12 3.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.461 HD21 HD11 ' A' ' 32' ' ' LEU . 0.7 OUTLIER -100.17 159.38 15.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.926 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.494 ' OE1' HG23 ' A' ' 66' ' ' VAL . 0.7 OUTLIER -153.36 125.14 7.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.616 HD22 ' CE3' ' A' ' 41' ' ' TRP . 13.6 tp -120.56 107.25 12.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.494 HG23 ' OE1' ' A' ' 64' ' ' GLU . 24.3 t -83.3 143.36 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.132 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.442 HG22 ' CE1' ' A' ' 54' ' ' TYR . 60.8 t -134.56 106.02 7.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -94.69 154.73 17.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 67.86 51.74 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 11.6 mt -54.99 151.28 9.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 68.3 mtm180 -155.47 154.93 29.14 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.593 0.711 . . . . 0.0 110.854 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -15.12 37.02 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.688 2.259 . . . . 0.0 112.327 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -85.9 -4.82 59.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -86.22 -33.69 20.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 59.4 m -41.68 100.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -140.92 -131.37 2.7 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.461 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.414 ' HB2' ' NH1' ' A' ' 77' ' ' ARG . 6.3 ttm105 -129.55 105.19 7.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.859 0.361 . . . . 0.0 110.813 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.631 ' CE2' ' CE1' ' A' ' 43' ' ' TYR . 49.5 m-85 -97.03 138.06 35.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.1 p -156.93 151.74 25.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.805 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 2.1 t -124.72 114.2 18.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.873 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.7 t -83.49 132.4 34.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.832 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -155.77 115.83 3.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 66.02 -115.14 7.19 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.532 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 20.0 p-10 -110.51 -28.92 8.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.755 0.312 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 24.1 mm100 -94.64 144.01 25.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.917 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 53.9 m -142.3 137.16 30.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.169 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 9.0 t -104.38 155.36 18.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.159 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.5 m -146.41 120.94 9.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.839 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -127.25 172.37 10.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.095 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 28.0 m -126.71 150.58 48.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.129 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 22.3 tp -115.98 130.31 56.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 97.1 m -95.77 124.27 39.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 66.4 t -129.42 112.14 24.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.7 ' HB ' HD12 ' A' ' 21' ' ' LEU . 4.4 m -95.07 132.16 40.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.169 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.5 107.95 5.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.105 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.786 ' C ' HD12 ' A' ' 96' ' ' LEU . 0.4 OUTLIER -52.26 144.68 21.47 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.618 0.723 . . . . 0.0 110.897 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.548 ' N ' HD12 ' A' ' 96' ' ' LEU . 53.0 Cg_endo . . . . . 0 C--N 1.341 0.168 0 C-N-CA 122.628 2.219 . . . . 0.0 112.34 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.594 HG21 ' CZ ' ' A' ' 82' ' ' PHE . 3.4 t . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.819 0.342 . . . . 0.0 111.155 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.41 ' N ' HG12 ' A' ' 9' ' ' VAL . 4.7 ttt180 -133.48 144.81 49.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.736 ' HB3' ' HB2' ' A' ' 14' ' ' ALA . 10.8 m-85 -73.11 83.11 1.3 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 56.5 tp60 -56.64 -52.58 64.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 14' ' ' ALA . 5.8 tt0 -127.51 54.15 1.7 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.822 ' HB1' ' OG1' ' A' ' 87' ' ' THR . . . -44.09 169.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.082 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.619 HD22 ' HB3' ' A' ' 28' ' ' LEU . 43.3 mt -48.25 165.49 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -142.6 172.02 13.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -68.73 127.06 31.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.834 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.453 ' CD1' ' HG ' ' A' ' 28' ' ' LEU . 10.9 mt -126.95 159.2 34.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.933 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -136.44 134.85 38.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 21' ' ' LEU . 86.6 t -145.76 152.48 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.136 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.606 HD13 ' N ' ' A' ' 22' ' ' GLU . 0.3 OUTLIER -79.19 128.93 33.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.606 ' N ' HD13 ' A' ' 21' ' ' LEU . 17.6 tt0 -41.55 153.82 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.68 7.22 79.52 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.508 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.64 -146.7 9.97 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.482 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -137.89 151.66 48.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.826 0.346 . . . . 0.0 111.089 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -110.79 140.43 45.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.09 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.4 m -117.77 112.85 20.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.172 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.619 ' HB3' HD22 ' A' ' 15' ' ' LEU . 5.6 mp -115.5 127.09 55.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.951 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.5 ptt180 -141.17 132.06 25.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.814 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.832 ' SG ' HD23 ' A' ' 63' ' ' LEU . 6.5 p -120.99 -179.57 4.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.883 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 94.6 t -146.26 117.68 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.737 HD22 ' N ' ' A' ' 32' ' ' LEU . 1.1 mm? -86.18 158.25 19.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.9 t -58.92 -19.58 43.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.3 m -159.91 116.84 2.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.829 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.417 ' HB ' ' N ' ' A' ' 61' ' ' ALA . 1.9 p -38.73 134.59 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.113 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.636 ' HB3' ' CZ ' ' A' ' 82' ' ' PHE . . . -159.65 141.89 13.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.106 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.882 ' HB1' ' HA ' ' A' ' 38' ' ' PRO . . . -163.47 167.01 11.95 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.622 0.725 . . . . 0.0 111.091 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.882 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 53.8 Cg_endo -69.77 156.68 92.7 Favored 'Cis proline' 0 C--N 1.342 0.215 0 C-N-CA 122.645 -1.815 . . . . 0.0 112.348 -0.018 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.5 t -106.48 153.87 7.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.063 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.0 tttp -109.71 137.53 47.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.577 ' CD1' HD23 ' A' ' 56' ' ' LEU . 15.4 m95 -111.15 161.19 16.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.92 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.2 m -154.13 135.88 14.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.907 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.403 ' O ' ' N ' ' A' ' 45' ' ' ASN . 7.0 t80 -130.47 102.92 6.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.944 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 61.43 -81.14 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.474 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 43' ' ' TYR . 2.3 m-80 -128.6 -51.62 1.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.859 0.362 . . . . 0.0 110.882 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 31.3 m-20 -69.16 142.93 54.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 62.3 t -86.4 121.06 37.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 95.8 mt -66.85 137.79 56.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 38.5 mtt180 -138.72 150.26 65.13 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.632 0.729 . . . . 0.0 110.843 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 147.69 63.08 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.662 2.241 . . . . 0.0 112.321 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 176.93 -132.09 1.97 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.451 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -95.8 -39.98 9.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.83 0.348 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.7 mmmm -76.2 -47.9 22.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -99.45 176.52 5.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.92 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.9 t -162.78 116.79 1.71 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.577 HD23 ' CD1' ' A' ' 41' ' ' TRP . 6.8 mp -115.69 131.37 56.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.4 ttt180 -144.03 136.04 26.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.641 ' OE1' HD13 ' A' ' 63' ' ' LEU . 3.4 tp60 -107.67 128.95 55.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -131.7 88.24 2.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 38.73 85.02 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.474 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.417 ' N ' ' HB ' ' A' ' 35' ' ' VAL . . . 59.06 41.3 20.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.757 0.313 . . . . 0.0 111.069 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.764 ' C ' HD22 ' A' ' 63' ' ' LEU . 2.5 ttt -149.63 140.26 22.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.832 HD23 ' SG ' ' A' ' 30' ' ' CYS . 0.6 OUTLIER -122.92 161.22 24.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.909 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -152.34 107.31 3.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.503 HD22 ' CZ3' ' A' ' 41' ' ' TRP . 8.4 tp -110.8 110.88 21.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.944 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 83.4 t -98.18 120.49 47.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.102 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 42.5 t -115.68 123.35 70.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.157 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -102.75 167.95 9.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 44.1 m-20 58.48 43.95 18.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.46 ' O ' ' CG ' ' A' ' 71' ' ' ARG . 24.9 mt -51.58 174.87 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.46 ' CG ' ' O ' ' A' ' 70' ' ' LEU . 53.2 mtt85 -162.8 145.02 8.15 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.612 0.72 . . . . 0.0 110.889 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -3.1 11.36 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.613 2.209 . . . . 0.0 112.361 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 50.4 mm-40 -100.56 -23.41 14.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 75' ' ' SER . 0.6 OUTLIER -68.4 -30.96 69.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 74' ' ' ASP . 65.7 m -37.53 99.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.836 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -145.5 -137.29 3.09 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.466 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 52.2 ttp180 -128.01 113.67 16.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.777 0.322 . . . . 0.0 110.913 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -91.56 160.22 15.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.476 ' CB ' ' O ' ' A' ' 87' ' ' THR . 58.5 m -154.06 167.93 28.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.88 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 4.3 t -145.71 127.86 15.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 58.2 m -95.09 125.83 40.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.636 ' CZ ' ' HB3' ' A' ' 36' ' ' ALA . 11.6 t80 -164.13 135.54 4.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.865 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 49.28 42.06 32.3 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.471 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 62.45 26.27 15.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.801 0.334 . . . . 0.0 110.921 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -124.75 136.73 54.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 30.1 m -123.77 118.33 26.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.154 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.822 ' OG1' ' HB1' ' A' ' 14' ' ' ALA . 6.2 t -95.57 161.16 14.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.172 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 95.7 p -138.9 138.96 37.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.553 ' HB2' ' HB2' ' A' ' 15' ' ' LEU . . . -144.54 178.32 8.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.0 m -129.74 150.87 50.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.174 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 22.5 tp -135.14 109.51 8.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 30.3 m -91.47 121.66 33.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 99.8 t -119.79 114.93 45.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.1 m -82.25 132.88 35.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.19 132.95 44.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.061 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.5 HD12 ' OE2' ' A' ' 22' ' ' GLU . 47.0 mt -39.53 145.38 0.43 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.606 0.717 . . . . 0.0 110.91 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.178 0 C-N-CA 122.692 2.261 . . . . 0.0 112.335 179.901 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.0 t . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.829 0.347 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.2 mtt-85 -109.17 178.57 4.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.405 ' HB3' ' HB2' ' A' ' 14' ' ' ALA . 11.4 m-85 -108.01 87.09 2.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -65.3 -57.88 7.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.969 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -123.28 60.85 1.05 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.619 ' HB1' ' OG1' ' A' ' 87' ' ' THR . . . -51.68 -176.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.121 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 32.0 mt -69.14 157.68 36.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -138.7 167.31 22.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.887 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -58.46 140.19 54.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.3 mt -124.0 146.9 48.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -126.38 111.87 14.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.1 t -143.55 153.94 16.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.161 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.804 HD12 ' HB ' ' A' ' 94' ' ' THR . 5.6 tp -91.03 134.51 34.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.502 ' C ' ' CD ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER -45.21 165.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.914 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.88 18.17 79.53 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.529 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -132.97 -143.23 4.99 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.502 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.48 ' HB2' HH21 ' A' ' 68' ' ' ARG . . . -137.45 158.92 43.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.799 0.333 . . . . 0.0 111.122 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -124.93 119.21 28.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . 0.613 HG23 ' OE2' ' A' ' 64' ' ' GLU . 22.6 m -111.82 100.38 8.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.138 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.6 mp -84.1 153.69 23.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.914 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 18.2 mtm180 -138.94 144.22 38.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.3 p -162.66 124.91 2.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 43.5 t -103.87 129.29 56.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.148 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 33' ' ' SER . 5.6 mt -88.89 134.82 33.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.955 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 32' ' ' LEU . 3.9 m -37.4 -39.76 0.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.813 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.2 m -133.22 172.4 12.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.866 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.732 HG22 ' HB2' ' A' ' 61' ' ' ALA . 37.4 t -91.98 110.67 23.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.156 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.463 ' HB3' ' CE2' ' A' ' 82' ' ' PHE . . . -140.25 145.63 37.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.865 ' HB1' ' HA ' ' A' ' 38' ' ' PRO . . . -170.4 166.98 4.81 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.553 0.692 . . . . 0.0 111.134 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.865 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 53.5 Cg_endo -69.74 169.75 61.76 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.724 -1.782 . . . . 0.0 112.325 -0.014 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.54 HG13 ' CD1' ' A' ' 82' ' ' PHE . 21.8 t -113.18 160.82 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.505 ' N ' HG12 ' A' ' 39' ' ' VAL . 28.1 tptt -108.76 144.2 36.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 31.0 m95 -128.81 102.85 6.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.938 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 16.7 p -116.4 131.09 57.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.589 ' CD1' ' CD1' ' A' ' 78' ' ' TYR . 5.1 t80 -135.8 113.79 11.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.75 -93.37 0.18 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.461 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 37.3 t-20 -127.94 -59.74 1.18 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.861 0.362 . . . . 0.0 110.943 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -65.17 141.34 58.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 13.2 t -85.73 134.06 28.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.8 mt -80.58 122.61 27.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -125.57 152.96 72.65 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.553 0.692 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 129.53 17.8 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.67 2.247 . . . . 0.0 112.336 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -161.86 -129.04 0.99 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.485 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -98.42 -44.27 6.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.907 0.384 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.589 ' HE2' ' CE1' ' A' ' 54' ' ' TYR . 0.3 OUTLIER -69.36 -59.63 2.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.589 ' CE1' ' HE2' ' A' ' 53' ' ' LYS . 23.1 m-85 -86.54 162.04 18.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.0 t -141.08 115.28 9.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -102.24 124.75 48.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 40.1 mtp85 -134.68 128.08 32.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -118.57 133.63 55.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -134.79 84.63 2.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 42.35 94.25 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.504 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.732 ' HB2' HG22 ' A' ' 35' ' ' VAL . . . 57.46 30.28 18.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.769 0.319 . . . . 0.0 111.091 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 2.6 ttp -135.7 143.42 45.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.935 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.44 HD21 HG21 ' A' ' 39' ' ' VAL . 5.6 mt -132.44 151.54 51.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.796 ' OE1' HG23 ' A' ' 66' ' ' VAL . 1.3 tm-20 -150.18 118.56 6.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.6 tp -113.39 119.56 38.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.796 HG23 ' OE1' ' A' ' 64' ' ' GLU . 97.9 t -102.78 130.1 53.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 6.7 t -118.4 116.74 52.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.104 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.48 HH21 ' HB2' ' A' ' 25' ' ' ALA . 0.6 OUTLIER -93.4 158.53 15.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.8 m120 62.3 54.68 2.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 12.4 mt -56.43 149.24 17.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 21.3 mtt180 -155.59 147.45 17.19 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.615 0.721 . . . . 0.0 110.864 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 -4.49 14.19 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.653 2.235 . . . . 0.0 112.319 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -98.09 -11.92 22.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 75' ' ' SER . 21.8 t0 -82.94 -31.42 27.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 74' ' ' ASP . 69.4 m -35.34 103.06 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -136.5 -145.8 5.08 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.477 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.405 ' HB3' ' NH1' ' A' ' 77' ' ' ARG . 10.2 ttp-105 -119.54 100.5 7.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.822 0.344 . . . . 0.0 110.84 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.589 ' CD1' ' CD1' ' A' ' 43' ' ' TYR . 70.6 m-85 -91.24 106.57 18.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 33.6 p -122.4 134.69 54.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.853 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 3.2 t -102.26 115.49 30.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.933 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 7.2 t -83.0 124.9 30.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.54 ' CD1' HG13 ' A' ' 39' ' ' VAL . 1.6 t80 -158.25 123.9 4.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.843 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 64.58 -132.04 37.91 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.464 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -99.79 -23.38 15.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.814 0.34 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -93.69 150.01 20.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 50.7 m -137.1 121.75 18.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.619 ' OG1' ' HB1' ' A' ' 14' ' ' ALA . 8.3 t -91.05 159.57 16.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.166 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.6 t -150.23 140.89 22.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -147.63 169.0 20.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.144 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 51.4 m -130.75 136.56 48.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.145 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.3 tp -102.75 130.91 49.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 88.2 m -96.94 125.85 41.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.111 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 58.7 t -123.26 111.5 29.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.804 ' HB ' HD12 ' A' ' 21' ' ' LEU . 29.5 m -83.11 130.94 35.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 96' ' ' LEU . . . -83.48 120.91 26.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.107 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.448 ' C ' ' O ' ' A' ' 95' ' ' ALA . 31.1 mt -34.68 150.19 0.08 OUTLIER Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.649 0.738 . . . . 0.0 110.866 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.181 0 C-N-CA 122.688 2.259 . . . . 0.0 112.355 179.834 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 37.6 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.843 0.354 . . . . 0.0 111.133 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 67.3 mtt180 -113.89 177.49 4.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -108.9 79.3 1.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.7 tp60 -59.09 -50.74 72.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -133.31 68.03 1.51 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.66 -175.12 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.133 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.537 HD22 ' HB3' ' A' ' 28' ' ' LEU . 53.4 mt -54.79 168.33 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.949 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -149.27 174.07 12.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -71.23 114.68 9.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.5 mp -106.45 156.19 18.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.951 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -137.25 113.42 9.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.2 t -132.02 154.86 40.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.091 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.536 HD12 ' HB ' ' A' ' 94' ' ' THR . 5.8 tp -93.56 145.84 24.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.933 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -58.63 120.04 8.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 123.85 31.92 0.91 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.473 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -155.76 -144.4 3.91 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.518 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -135.05 155.2 51.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 0.0 111.097 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -113.23 120.56 41.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.083 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.2 m -110.72 109.48 19.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.158 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.66 HD13 HD23 ' A' ' 65' ' ' LEU . 5.4 mp -89.95 121.97 32.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 71.0 mtm180 -112.97 151.84 30.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 23.9 p -169.98 131.1 1.01 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 95.1 t -106.28 122.84 60.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.67 HD11 HD21 ' A' ' 63' ' ' LEU . 4.8 mt -87.35 146.99 25.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 83.2 p -45.92 -41.49 11.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.844 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.5 m -130.81 159.56 36.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.646 ' HA ' ' HB2' ' A' ' 61' ' ' ALA . 25.4 t -80.0 99.43 3.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.151 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -132.3 147.89 52.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.08 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.865 ' HB1' ' HA ' ' A' ' 38' ' ' PRO . . . -171.29 166.99 4.11 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.625 0.726 . . . . 0.0 111.06 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.865 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 53.9 Cg_endo -69.72 177.76 27.65 Favored 'Cis proline' 0 C--N 1.342 0.205 0 C-N-CA 122.713 -1.786 . . . . 0.0 112.337 -0.047 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.51 HG11 ' CD1' ' A' ' 63' ' ' LEU . 2.0 p -114.98 146.88 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.117 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.1 tttt -104.15 118.83 37.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.437 ' CD1' ' CD2' ' A' ' 56' ' ' LEU . 71.1 m95 -93.17 159.87 15.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.8 m -150.46 119.82 6.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.667 ' HB3' HD11 ' A' ' 48' ' ' LEU . 11.9 t80 -147.29 107.99 4.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 40.79 -96.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.506 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.409 ' N ' ' O ' ' A' ' 43' ' ' TYR . 12.2 p30 -47.44 169.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.831 0.348 . . . . 0.0 110.923 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -46.94 169.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.8 p -44.23 142.14 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.121 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.667 HD11 ' HB3' ' A' ' 43' ' ' TYR . 51.5 mt -89.28 151.05 22.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.475 ' HB3' ' CZ ' ' A' ' 49' ' ' ARG . 12.2 mtp-105 -132.2 146.42 61.56 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.588 0.708 . . . . 0.0 110.898 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 147.14 62.14 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.719 2.279 . . . . 0.0 112.376 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -175.45 -132.34 1.58 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.46 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -91.3 -50.84 5.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.894 0.378 . . . . 0.0 110.883 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.6 tptt -58.34 -61.27 2.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -89.31 173.45 8.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.943 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.0 m -152.43 112.55 4.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.437 ' CD2' ' CD1' ' A' ' 41' ' ' TRP . 5.5 mp -111.36 134.11 53.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -140.9 145.05 35.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 36.2 tp60 -125.55 132.64 52.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 60' ' ' GLY . 3.8 tm-20 -160.11 133.53 6.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.822 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 59' ' ' GLU . . . 34.35 62.45 0.5 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.502 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.646 ' HB2' ' HA ' ' A' ' 35' ' ' VAL . . . 47.8 47.88 17.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.816 0.341 . . . . 0.0 111.096 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -143.6 127.08 16.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.67 HD21 HD11 ' A' ' 32' ' ' LEU . 2.3 mm? -104.9 160.71 14.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.906 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -152.39 115.52 4.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.66 HD23 HD13 ' A' ' 28' ' ' LEU . 13.6 tp -115.98 119.04 34.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 69.2 t -102.21 147.41 8.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 65.2 t -136.31 106.49 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.089 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 20.3 mmm-85 -84.7 161.13 20.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 54.04 53.67 10.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 34.9 mt -55.63 -177.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.945 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -171.68 150.62 2.66 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.61 0.719 . . . . 0.0 110.888 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -2.93 10.98 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.651 2.234 . . . . 0.0 112.368 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -114.19 34.45 4.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -118.88 -21.91 7.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 44.8 m -56.9 99.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -130.06 -131.19 3.31 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.484 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 31.5 ttp180 -128.45 100.77 5.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.846 0.355 . . . . 0.0 110.889 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -89.09 138.58 31.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 9.7 t -141.91 150.06 41.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.818 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.3 t -127.23 113.59 16.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.9 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.9 t -84.01 129.24 34.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.413 ' HD1' HG23 ' A' ' 39' ' ' VAL . 4.7 t80 -153.28 120.13 5.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 52.93 -112.98 2.48 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.539 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -119.05 35.8 4.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.756 0.312 . . . . 0.0 110.874 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -135.65 150.03 49.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.946 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 24.6 m -141.99 117.08 10.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.131 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.8 t -106.88 152.18 24.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.167 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 52.4 p -140.25 140.19 35.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -141.75 174.57 10.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.089 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 33.9 m -133.33 141.42 47.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.133 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 54.2 tp -109.46 149.81 29.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 54.7 m -119.81 128.12 53.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.139 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 61.6 t -130.91 117.41 37.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.159 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.536 ' HB ' HD12 ' A' ' 21' ' ' LEU . 27.6 m -85.73 134.34 33.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.132 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.37 110.05 5.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.669 ' C ' HD12 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -52.75 145.4 21.96 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.609 0.719 . . . . 0.0 110.923 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.522 ' N ' HD12 ' A' ' 96' ' ' LEU . 53.6 Cg_endo . . . . . 0 C--N 1.342 0.191 0 C-N-CA 122.713 2.275 . . . . 0.0 112.295 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 92.8 t . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.806 0.336 . . . . 0.0 111.139 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 79.1 mtt180 -100.8 150.0 23.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.696 ' HB3' ' HB2' ' A' ' 14' ' ' ALA . 11.0 m-85 -82.8 75.55 9.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -49.66 -50.37 43.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -131.55 65.41 1.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.827 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.696 ' HB2' ' HB3' ' A' ' 11' ' ' PHE . . . -59.21 -175.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.606 HD22 ' HB3' ' A' ' 28' ' ' LEU . 8.6 mt -63.82 -175.84 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -164.77 159.17 18.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -53.26 147.44 10.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.418 HD11 ' HG ' ' A' ' 28' ' ' LEU . 4.6 mt -135.87 138.75 42.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -112.67 115.82 29.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.499 ' CG1' HD11 ' A' ' 91' ' ' LEU . 1.0 OUTLIER -145.04 147.25 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.155 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.663 HD12 ' HB ' ' A' ' 94' ' ' THR . 9.4 tp -86.84 144.73 26.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.949 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -52.29 147.06 8.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.48 35.54 6.9 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.504 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -152.67 -147.19 4.54 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.508 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -139.57 156.53 46.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.786 0.327 . . . . 0.0 111.082 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -119.07 134.0 55.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.083 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.1 m -115.47 113.47 23.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.108 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.606 ' HB3' HD22 ' A' ' 15' ' ' LEU . 5.5 mp -96.97 134.61 40.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.8 mmm-85 -127.56 138.41 52.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.677 ' O ' HD23 ' A' ' 63' ' ' LEU . 29.5 p -156.03 125.4 6.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.475 HG13 ' O ' ' A' ' 61' ' ' ALA . 54.7 t -109.62 129.98 63.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.708 ' H ' HD22 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -93.4 170.97 9.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.8 t -58.44 -28.9 65.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.3 t -156.74 147.79 22.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.855 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.566 HG23 ' H ' ' A' ' 61' ' ' ALA . 7.0 p -65.29 108.14 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.165 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.61 ' HB3' ' CE1' ' A' ' 82' ' ' PHE . . . -128.08 106.66 9.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.081 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.865 ' HB1' ' HA ' ' A' ' 38' ' ' PRO . . . -125.26 167.0 17.55 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.607 0.717 . . . . 0.0 111.098 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.865 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 53.6 Cg_endo -69.74 170.59 57.61 Favored 'Cis proline' 0 C--N 1.342 0.214 0 C-N-CA 122.667 -1.805 . . . . 0.0 112.37 -0.037 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.575 HG13 ' CD2' ' A' ' 82' ' ' PHE . 2.6 t -110.5 154.69 12.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.15 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.55 115.51 27.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 38.9 m95 -99.03 148.79 23.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.925 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.3 p -158.78 131.95 7.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.765 ' CE1' ' CE2' ' A' ' 78' ' ' TYR . 1.8 t80 -138.43 105.92 5.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.895 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 83.68 -107.84 2.99 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.529 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -115.33 -54.09 2.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.843 0.354 . . . . 0.0 110.833 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -70.92 157.38 38.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 42.1 t -91.75 141.05 15.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.534 HD11 ' CB ' ' A' ' 43' ' ' TYR . 15.9 mt -86.37 122.77 30.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 80.5 mtm180 -117.41 149.19 44.27 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.595 0.712 . . . . 0.0 110.929 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.593 ' HD3' HD12 ' A' ' 56' ' ' LEU . 53.5 Cg_endo -69.84 143.33 50.09 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.691 2.261 . . . . 0.0 112.296 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 169.28 -141.95 7.02 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.492 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -84.15 -48.86 9.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.919 0.39 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.8 tptt -64.74 -45.5 86.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -119.73 150.33 40.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.97 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.9 t -125.62 134.65 51.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.593 HD12 ' HD3' ' A' ' 50' ' ' PRO . 70.0 mt -132.93 109.44 9.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -128.2 135.34 49.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.765 HE22 ' HB2' ' A' ' 37' ' ' ALA . 14.5 tt0 -116.43 145.78 43.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.498 ' O ' ' CB ' ' A' ' 62' ' ' MET . 6.6 mm-40 -151.09 105.3 3.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 59' ' ' GLU . . . 34.35 75.58 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.511 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.566 ' H ' HG23 ' A' ' 35' ' ' VAL . . . 59.97 41.75 17.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.764 0.316 . . . . 0.0 111.12 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.498 ' CB ' ' O ' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -130.77 129.87 43.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.695 HD21 HD21 ' A' ' 32' ' ' LEU . 3.1 mm? -111.24 148.94 31.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.482 ' OE1' HG23 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -156.27 112.04 2.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 179.928 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.3 tp -123.07 122.21 37.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.482 HG23 ' OE1' ' A' ' 64' ' ' GLU . 52.6 t -107.69 122.14 61.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.139 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 31.2 t -113.82 104.42 16.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 26.2 mtt-85 -77.85 168.21 20.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 15.5 m120 58.5 54.23 5.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 12.5 mt -62.06 125.37 23.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.7 mmt85 -122.51 154.15 62.78 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.619 0.723 . . . . 0.0 110.871 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 0.23 5.95 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.675 2.25 . . . . 0.0 112.333 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -101.73 -24.67 14.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.5 -36.14 82.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.6 m -43.22 98.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.834 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -144.12 -140.97 3.7 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.556 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 24.8 ttm-85 -117.77 100.91 7.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.844 0.354 . . . . 0.0 110.843 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.765 ' CE2' ' CE1' ' A' ' 43' ' ' TYR . 51.1 m-85 -91.66 131.43 37.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 95.0 p -136.96 149.3 47.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 4.0 t -128.22 130.15 47.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.849 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 50.3 m -83.51 122.81 29.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.848 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.61 ' CE1' ' HB3' ' A' ' 36' ' ' ALA . 5.3 t80 -145.02 122.1 11.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.881 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 60.56 -103.52 0.51 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.463 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -123.7 -34.19 3.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.767 0.318 . . . . 0.0 110.868 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -84.32 158.53 21.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 85.9 m -129.9 136.26 49.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.461 ' OG1' ' HB1' ' A' ' 14' ' ' ALA . 9.7 t -96.19 161.6 13.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.138 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.4 t -155.26 134.0 12.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -145.42 174.61 10.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.098 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 62.9 m -132.4 145.66 51.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.15 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.652 HD12 ' H ' ' A' ' 92' ' ' THR . 20.7 tp -111.99 146.25 38.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.652 ' H ' HD12 ' A' ' 91' ' ' LEU . 70.9 m -114.89 120.91 41.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.165 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 60.9 t -128.76 114.47 33.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.138 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.663 ' HB ' HD12 ' A' ' 21' ' ' LEU . 58.7 m -93.34 136.33 33.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.158 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.82 121.7 20.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.073 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 8.7 mt -47.47 149.55 1.96 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.625 0.726 . . . . 0.0 110.93 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo . . . . . 0 C--N 1.342 0.19 0 C-N-CA 122.667 2.245 . . . . 0.0 112.335 179.886 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.508 HG13 ' HB3' ' A' ' 33' ' ' SER . 6.2 t . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.876 0.37 . . . . 0.0 111.123 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 61.0 mtm-85 -93.43 173.32 7.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.634 ' HB3' ' HB2' ' A' ' 14' ' ' ALA . 8.0 m-85 -95.38 92.96 6.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -59.96 -56.46 21.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -128.13 56.1 1.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.848 ' HB1' ' OG1' ' A' ' 87' ' ' THR . . . -43.85 168.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.119 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.925 HD22 HD23 ' A' ' 28' ' ' LEU . 12.0 mt -45.45 152.63 0.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.3 mtpt -136.48 179.93 6.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.43 135.57 45.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.835 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.8 mt -127.68 152.63 47.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -132.73 118.62 19.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.5 t -138.16 153.83 27.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.17 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.581 HD13 ' N ' ' A' ' 22' ' ' GLU . 0.2 OUTLIER -80.62 129.81 34.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.912 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.581 ' N ' HD13 ' A' ' 21' ' ' LEU . 11.7 tt0 -46.82 157.59 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.41 ' N ' ' CG ' ' A' ' 22' ' ' GLU . . . 80.05 27.62 52.37 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.512 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -143.42 -142.48 3.97 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.472 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -133.95 153.96 51.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.795 0.331 . . . . 0.0 111.098 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -110.79 111.56 22.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.085 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 31.7 m -93.16 99.5 12.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.925 HD23 HD22 ' A' ' 15' ' ' LEU . 4.7 mp -83.69 146.0 28.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.934 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 60.1 mtt180 -140.73 152.83 45.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -166.14 126.74 1.74 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 48.6 t -103.16 138.13 28.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.096 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.43 HD23 ' CE2' ' A' ' 82' ' ' PHE . 4.3 mp -108.38 -177.86 3.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.508 ' HB3' HG13 ' A' ' 9' ' ' VAL . 7.9 t -67.38 -27.62 67.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.8 m -159.63 179.52 8.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.7 t -77.8 104.5 5.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.141 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.433 ' CB ' ' CZ ' ' A' ' 82' ' ' PHE . . . -126.62 136.08 52.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.114 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.879 ' HB1' ' HA ' ' A' ' 38' ' ' PRO . . . -174.74 166.96 2.12 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.501 0.667 . . . . 0.0 111.121 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.879 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 54.4 Cg_endo -69.75 166.94 72.75 Favored 'Cis proline' 0 C--O 1.231 0.157 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.399 -0.041 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.568 HG21 HD21 ' A' ' 63' ' ' LEU . 3.2 t -116.93 146.66 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.152 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 34.7 tttp -112.81 133.75 54.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.452 ' HB3' HD12 ' A' ' 48' ' ' LEU . 17.8 m95 -107.12 161.22 14.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 71.7 m -142.58 121.13 12.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.706 ' HB2' HD11 ' A' ' 48' ' ' LEU . 27.5 t80 -139.13 126.48 21.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 57.19 -102.86 0.24 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.474 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -126.84 -62.86 1.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.837 0.351 . . . . 0.0 110.858 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -62.55 99.9 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 39.2 t -41.22 138.66 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.082 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.706 HD11 ' HB2' ' A' ' 43' ' ' TYR . 31.0 mt -76.97 125.21 28.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.467 ' CZ ' ' HB2' ' A' ' 49' ' ' ARG . 22.6 mtm105 -136.36 153.8 76.59 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.642 0.734 . . . . 0.0 110.87 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 134.51 28.22 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.709 2.273 . . . . 0.0 112.336 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -166.07 -112.68 0.27 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.515 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -112.77 -42.47 3.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.863 0.363 . . . . 0.0 110.862 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.56 -55.41 24.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.455 ' CE1' HG13 ' A' ' 67' ' ' VAL . 2.6 m-85 -110.87 168.04 9.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.922 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.8 t -139.07 117.71 12.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.432 ' CD2' ' N ' ' A' ' 56' ' ' LEU . 0.7 OUTLIER -93.94 117.34 29.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.938 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -143.3 130.57 20.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -108.09 146.51 32.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -134.95 83.89 2.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 55.07 98.45 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.509 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 41.42 47.35 3.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.745 0.307 . . . . 0.0 111.096 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 2.6 tmm? -159.4 123.63 3.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.568 HD21 HG21 ' A' ' 39' ' ' VAL . 2.3 mm? -97.58 152.44 19.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -141.17 128.23 20.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.425 HD22 ' CE3' ' A' ' 41' ' ' TRP . 15.9 tp -125.07 113.16 17.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.916 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 89.8 t -94.95 133.24 36.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.174 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.455 HG13 ' CE1' ' A' ' 54' ' ' TYR . 75.5 t -130.96 108.7 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -86.81 176.09 7.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 44.3 m-20 54.92 44.94 27.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 11.9 mt -56.77 151.26 14.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 74.6 mtt180 -136.56 148.67 64.72 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.546 0.689 . . . . 0.0 110.938 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -8.71 24.31 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.652 2.235 . . . . 0.0 112.356 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -106.25 -26.88 11.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -59.01 -33.05 70.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 50.5 p -46.69 117.01 1.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -154.56 -125.34 0.98 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.537 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 58.9 ttp85 -129.64 119.07 22.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.786 0.327 . . . . 0.0 110.897 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -102.41 142.95 32.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 38.1 m -126.16 164.98 19.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 51.3 t -149.46 126.46 11.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.926 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.3 t -100.4 129.29 46.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.479 ' O ' ' N ' ' A' ' 85' ' ' GLN . 18.6 t80 -164.23 141.68 6.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 82' ' ' PHE . . . 35.74 50.34 1.08 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.446 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 57.67 39.69 27.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.735 0.302 . . . . 0.0 110.871 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.479 ' N ' ' O ' ' A' ' 82' ' ' PHE . 4.4 mm-40 -130.14 156.41 44.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 27.9 m -143.57 105.0 4.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.175 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.848 ' OG1' ' HB1' ' A' ' 14' ' ' ALA . 5.1 t -99.61 132.86 44.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.11 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -116.51 139.55 50.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.839 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -142.33 176.16 9.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.119 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.432 HG22 ' N ' ' A' ' 91' ' ' LEU . 19.5 m -126.63 156.74 40.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.192 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.432 ' N ' HG22 ' A' ' 90' ' ' THR . 60.6 tp -133.24 135.68 45.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.916 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 89.6 m -110.72 131.56 54.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.12 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 65.6 t -130.4 109.33 17.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 56.8 m -83.66 131.93 34.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.187 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.38 119.0 12.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.688 ' C ' HD12 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -65.68 145.64 99.03 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.572 0.701 . . . . 0.0 110.923 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.537 ' N ' HD12 ' A' ' 96' ' ' LEU . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.171 0 C-N-CA 122.717 2.278 . . . . 0.0 112.342 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 90.3 t . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.844 0.354 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -100.66 169.44 9.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.522 ' HB3' ' HB2' ' A' ' 14' ' ' ALA . 11.2 m-85 -100.53 79.34 2.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 43.7 tp60 -54.34 -59.94 4.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.872 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -125.01 65.83 1.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.522 ' HB2' ' HB3' ' A' ' 11' ' ' PHE . . . -60.21 178.32 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.109 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 24.2 mt -47.68 168.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.941 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.449 ' O ' HD23 ' A' ' 18' ' ' LEU . 8.1 mtmp? -154.19 147.02 24.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 16' ' ' LYS . 1.5 p-10 -35.12 138.17 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.909 HD12 HD13 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -145.78 145.42 30.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -135.74 133.52 38.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 66.4 t -146.29 151.72 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.168 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.718 HD12 ' HB ' ' A' ' 94' ' ' THR . 4.8 tp -77.95 135.59 37.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -51.44 154.43 1.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.88 -44.49 1.71 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.436 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -80.8 -143.2 3.44 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.488 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.785 ' HB2' ' HD3' ' A' ' 68' ' ' ARG . . . -135.83 160.84 37.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.825 0.345 . . . . 0.0 111.078 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -114.61 136.06 53.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.075 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 42.2 m -117.59 121.8 41.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.434 ' N ' HD12 ' A' ' 28' ' ' LEU . 5.4 mp -105.91 130.71 53.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.918 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 55.6 mtt180 -123.12 145.56 48.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 24.7 p -171.05 133.7 0.9 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.817 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.448 HG13 ' O ' ' A' ' 61' ' ' ALA . 92.8 t -106.17 131.03 56.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.134 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.422 HD11 HD21 ' A' ' 63' ' ' LEU . 8.5 mt -90.69 150.17 21.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.2 m -40.78 -46.59 2.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.4 m -142.92 173.17 11.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.594 HG22 ' HB2' ' A' ' 61' ' ' ALA . 15.1 t -87.15 106.67 16.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.122 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -129.91 19.74 5.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.08 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.852 ' HB1' ' HA ' ' A' ' 38' ' ' PRO . . . -59.55 166.98 2.71 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.573 0.701 . . . . 0.0 111.09 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.852 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 54.0 Cg_endo -69.77 179.69 21.62 Favored 'Cis proline' 0 C--N 1.342 0.201 0 C-N-CA 122.641 -1.816 . . . . 0.0 112.356 0.006 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.807 HG12 ' CE1' ' A' ' 82' ' ' PHE . 35.2 m -122.11 176.12 4.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.7 tttm -126.24 115.51 19.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 56.4 m95 -89.77 161.64 15.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.959 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 26.7 p -154.49 132.87 11.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.402 ' CD1' ' C ' ' A' ' 43' ' ' TYR . 1.0 OUTLIER -149.27 133.19 17.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.789 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 39.86 36.1 0.74 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.539 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 68.06 52.49 0.68 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.828 0.347 . . . . 0.0 110.925 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -151.97 161.17 43.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 48.9 t -100.96 122.7 53.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.1 mt -95.06 119.36 33.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.945 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -121.65 153.33 59.62 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.605 0.716 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 141.92 46.26 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.646 2.231 . . . . 0.0 112.327 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 176.32 -121.76 0.82 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.526 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -96.91 -60.77 1.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.881 0.372 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.0 tptt -63.07 -45.0 94.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -115.73 161.16 19.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.639 ' C ' HD12 ' A' ' 56' ' ' LEU . 1.8 m -143.67 138.27 28.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.878 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.639 HD12 ' C ' ' A' ' 55' ' ' SER . 6.6 mp -140.86 126.83 19.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 25.8 tpt180 -136.68 131.42 33.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -101.39 129.69 47.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -128.97 81.42 2.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 43.17 88.01 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.481 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.594 ' HB2' HG22 ' A' ' 35' ' ' VAL . . . 56.72 43.03 25.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.771 0.32 . . . . 0.0 111.118 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.42 ' C ' HD22 ' A' ' 63' ' ' LEU . 2.8 ttt -147.66 138.06 23.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.502 ' N ' HD22 ' A' ' 63' ' ' LEU . 2.9 mm? -117.37 155.82 28.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -156.84 108.82 2.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.1 tp -112.32 128.99 56.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 90.6 t -114.91 120.47 64.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.111 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.6 t -114.88 114.76 47.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.135 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.785 ' HD3' ' HB2' ' A' ' 25' ' ' ALA . 24.9 mmt85 -88.31 172.42 9.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 62.1 t30 58.22 53.88 6.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 19.2 mt -59.52 146.96 38.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.473 ' HB3' ' NE2' ' A' ' 73' ' ' GLN . 23.7 mmm-85 -146.28 144.39 21.19 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.604 0.716 . . . . 0.0 110.845 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -4.68 14.52 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.691 2.261 . . . . 0.0 112.306 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.473 ' NE2' ' HB3' ' A' ' 71' ' ' ARG . 2.2 pm0 -105.93 2.95 27.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.953 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -90.96 -30.77 16.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.926 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 67.5 m -39.14 100.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -133.9 -140.15 4.28 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.466 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 56.7 ttt180 -119.48 100.73 7.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.762 0.315 . . . . 0.0 110.88 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -93.78 106.29 18.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 27.0 p -114.15 156.94 23.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.8 t -127.65 118.36 23.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 19.7 m -88.13 123.02 32.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.807 ' CE1' HG12 ' A' ' 39' ' ' VAL . 3.6 t80 -154.54 110.7 3.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 73.88 -122.31 7.55 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.485 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.65 -39.63 6.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.748 0.309 . . . . 0.0 110.864 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -81.85 160.19 23.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 89.8 m -143.86 129.2 18.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.437 ' OG1' ' HB1' ' A' ' 14' ' ' ALA . 6.3 t -94.77 156.31 16.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 95.6 p -153.86 122.11 6.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.85 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -127.28 169.04 13.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.129 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 60.9 m -128.57 138.25 52.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.136 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.909 HD13 HD12 ' A' ' 18' ' ' LEU . 18.3 tp -108.37 131.5 54.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 59.3 m -100.23 112.54 24.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.152 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 92.9 t -101.08 122.61 53.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.718 ' HB ' HD12 ' A' ' 21' ' ' LEU . 6.2 m -92.52 125.27 37.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.159 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.09 121.48 19.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.1 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.65 ' C ' HD12 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -62.19 145.64 93.43 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.585 0.707 . . . . 0.0 110.927 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.513 ' N ' HD12 ' A' ' 96' ' ' LEU . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.174 0 C-N-CA 122.682 2.255 . . . . 0.0 112.347 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.934 HG11 ' HB2' ' A' ' 36' ' ' ALA . 8.9 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.802 0.334 . . . . 0.0 111.137 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 29.1 mtp180 -47.78 172.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.85 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.799 ' HB3' ' HB2' ' A' ' 14' ' ' ALA . 10.2 m-85 -88.87 71.02 8.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.847 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -45.89 -52.8 10.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -128.62 60.15 1.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.913 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.799 ' HB2' ' HB3' ' A' ' 11' ' ' PHE . . . -52.18 171.11 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.121 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.586 HD22 HD23 ' A' ' 28' ' ' LEU . 12.9 mt -54.49 159.39 2.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.3 pttt -141.65 160.41 40.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.7 116.09 1.64 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 80.0 mt -103.33 163.88 11.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.409 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 0.5 OUTLIER -135.16 142.34 46.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 179.909 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.559 HG11 ' CD1' ' A' ' 70' ' ' LEU . 94.4 t -157.76 160.13 2.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.705 HD12 ' HB ' ' A' ' 94' ' ' THR . 5.4 tp -111.16 133.74 53.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -40.85 124.43 2.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.87 21.65 7.36 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.528 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -139.43 -145.91 4.81 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.461 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -142.49 157.27 44.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.813 0.34 . . . . 0.0 111.101 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -112.88 118.07 33.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.2 m -102.32 108.89 20.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.122 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.586 HD23 HD22 ' A' ' 15' ' ' LEU . 5.1 mp -90.98 105.13 17.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.958 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -115.13 123.3 48.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 20.6 p -139.0 144.14 38.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 76.2 t -109.52 134.07 52.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.127 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 1.029 HD13 ' CE2' ' A' ' 82' ' ' PHE . 9.2 mt -100.79 160.05 14.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 45.0 t -65.3 -14.68 61.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.813 ' HB2' HG12 ' A' ' 9' ' ' VAL . 5.3 m -173.44 140.39 0.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.864 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.445 HG13 ' O ' ' A' ' 35' ' ' VAL . 2.8 p -66.61 106.58 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.934 ' HB2' HG11 ' A' ' 9' ' ' VAL . . . -115.67 20.09 14.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.096 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.883 ' HB1' ' HA ' ' A' ' 38' ' ' PRO . . . -45.05 167.04 0.12 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.538 0.685 . . . . 0.0 111.097 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.883 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 54.3 Cg_endo -69.73 174.24 41.26 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.375 -0.043 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.982 HG21 HD11 ' A' ' 63' ' ' LEU . 3.2 t -112.02 160.9 11.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.116 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.408 ' N ' HG12 ' A' ' 39' ' ' VAL . 22.4 tttt -128.68 104.33 7.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.429 ' CE3' HD22 ' A' ' 65' ' ' LEU . 45.4 m95 -86.98 117.15 25.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 19.2 m -116.55 118.79 33.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.781 ' HB3' HD11 ' A' ' 48' ' ' LEU . 44.5 t80 -142.68 110.47 5.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 43.44 -97.09 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.515 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -51.61 -179.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.828 0.347 . . . . 0.0 110.928 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 27.3 p30 -53.06 171.13 0.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 20.3 t -42.34 134.39 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.133 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.781 HD11 ' HB3' ' A' ' 43' ' ' TYR . 96.1 mt -77.17 108.97 10.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 48.9 mtt180 -98.73 149.03 35.35 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.552 0.691 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.451 ' HB3' HD23 ' A' ' 56' ' ' LEU . 53.5 Cg_endo -69.77 157.07 61.64 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.681 2.254 . . . . 0.0 112.329 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 173.25 -137.09 3.95 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.468 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -94.35 -2.93 51.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.869 0.366 . . . . 0.0 110.846 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.87 -55.25 2.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -96.32 152.72 18.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.95 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 45.2 t -124.84 102.33 7.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.516 HD22 ' N ' ' A' ' 56' ' ' LEU . 3.1 mm? -97.49 110.55 23.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.5 ttt85 -130.31 113.5 14.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.424 HE21 ' HB2' ' A' ' 37' ' ' ALA . 1.4 tm0? -108.03 135.53 49.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.955 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -134.17 79.92 1.83 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.42 ' N ' ' OE1' ' A' ' 58' ' ' GLN . . . 38.24 92.13 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.496 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 65.15 35.1 8.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.83 0.348 . . . . 0.0 111.124 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 3.2 tmm? -142.93 122.39 13.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.982 HD11 HG21 ' A' ' 39' ' ' VAL . 2.9 mm? -102.69 151.3 22.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.968 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -156.37 108.78 2.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.429 HD22 ' CE3' ' A' ' 41' ' ' TRP . 7.4 tp -126.81 110.29 12.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 20.6 t -96.43 140.28 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.145 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 40.0 t -131.01 106.01 11.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.154 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 76.3 mtt180 -85.91 171.26 11.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 57.11 53.97 7.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.559 ' CD1' HG11 ' A' ' 20' ' ' VAL . 10.9 mt -65.76 173.84 2.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.938 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -174.33 147.43 1.2 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.603 0.716 . . . . 0.0 110.877 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 -6.38 18.42 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.72 2.28 . . . . 0.0 112.4 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -86.38 -17.92 33.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 75' ' ' SER . 10.8 m-20 -90.28 -3.16 57.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 74' ' ' ASP . 40.4 m -36.71 106.98 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -167.15 -173.81 35.73 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.477 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.82 139.6 49.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.84 0.352 . . . . 0.0 110.836 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -105.18 127.46 52.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 37.3 t -112.11 136.07 51.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.874 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 40.4 t -115.7 121.55 42.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.6 p -85.87 140.94 29.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.846 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 1.029 ' CE2' HD13 ' A' ' 32' ' ' LEU . 2.1 t80 -164.44 107.26 0.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 71.94 -106.36 1.9 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.524 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -121.44 -28.39 4.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.766 0.317 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -89.68 154.6 19.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.943 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 27.8 m -142.84 147.11 34.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.205 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.543 ' CB ' ' HB1' ' A' ' 14' ' ' ALA . 11.3 t -128.9 145.86 51.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.149 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.0 p -137.53 142.15 41.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -138.19 142.82 40.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.07 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 26.5 m -85.54 146.55 26.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 23.8 tp -107.32 127.0 53.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 39.0 m -97.95 115.09 27.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.187 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 55.8 t -117.19 108.7 25.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.118 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.705 ' HB ' HD12 ' A' ' 21' ' ' LEU . 16.5 m -81.86 141.76 33.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.185 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -83.04 112.9 20.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.132 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.669 ' C ' HD12 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -51.99 145.6 17.15 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.6 0.714 . . . . 0.0 110.914 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.531 ' N ' HD12 ' A' ' 96' ' ' LEU . 53.3 Cg_endo . . . . . 0 C--N 1.341 0.17 0 C-N-CA 122.658 2.239 . . . . 0.0 112.311 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.424 ' CG1' ' HB3' ' A' ' 32' ' ' LEU . 85.1 t . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.773 0.32 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.3 mmm180 -78.34 133.62 37.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.462 ' HB3' ' HB2' ' A' ' 14' ' ' ALA . 10.4 m-85 -73.83 90.29 1.89 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 55.2 tp60 -63.17 -50.83 68.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.887 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -131.61 65.99 1.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.572 ' HB1' ' OG1' ' A' ' 87' ' ' THR . . . -58.47 171.48 0.6 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.11 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 47.7 mt -39.03 147.05 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.9 ptmm? -127.24 167.29 16.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -82.93 122.56 28.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.2 mp -113.82 168.31 9.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.906 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -136.1 112.46 9.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.7 t -130.0 149.49 33.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.139 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.702 HD12 ' HB ' ' A' ' 94' ' ' THR . 4.8 tp -82.56 149.21 27.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.916 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -54.46 145.62 17.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.72 18.66 69.9 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.467 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -118.06 -143.41 7.34 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.495 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -141.8 143.75 33.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.833 0.349 . . . . 0.0 111.093 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -111.3 124.82 53.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.126 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 99.9 m -112.29 103.23 11.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.4 mp -96.57 118.47 33.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.407 ' CB ' ' O ' ' A' ' 63' ' ' LEU . 4.7 ptt-85 -132.92 147.41 52.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.3 p -146.95 141.76 26.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.3 t -104.34 145.76 12.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.424 ' HB3' ' CG1' ' A' ' 9' ' ' VAL . 5.0 mp -118.07 153.32 33.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 67.8 p -49.84 -40.84 43.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.0 m -123.22 176.15 6.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.83 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 1.018 HG22 ' HB2' ' A' ' 61' ' ' ALA . 66.3 t -105.49 85.09 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.125 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.515 ' HB3' ' HE2' ' A' ' 82' ' ' PHE . . . -107.01 143.63 34.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.871 ' HB1' ' HA ' ' A' ' 38' ' ' PRO . . . -168.01 166.98 7.05 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.535 0.683 . . . . 0.0 111.11 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.871 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 53.5 Cg_endo -69.71 177.83 27.38 Favored 'Cis proline' 0 C--O 1.232 0.175 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.357 -0.074 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.2 m -115.73 172.34 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.136 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 35.4 tttt -122.6 119.59 31.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.666 ' CZ3' HD22 ' A' ' 65' ' ' LEU . 21.5 m95 -108.7 118.46 36.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.946 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.47 ' N ' HD12 ' A' ' 48' ' ' LEU . 16.6 p -139.58 152.26 46.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.409 ' HB2' HD11 ' A' ' 48' ' ' LEU . 10.1 t80 -133.69 104.82 6.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.64 -90.31 0.55 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.459 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -119.64 -58.41 1.9 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.76 0.314 . . . . 0.0 110.864 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -63.78 140.8 58.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.8 t -82.82 143.16 12.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.47 HD12 ' N ' ' A' ' 42' ' ' CYS . 5.8 mt -89.31 134.58 34.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 54.9 mtp180 -136.42 145.35 51.29 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.62 0.724 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 144.1 53.02 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.696 2.264 . . . . 0.0 112.352 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -173.44 -125.75 0.86 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.448 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -98.96 -54.29 3.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.92 0.391 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.6 tmtm? -64.11 -25.54 68.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.624 ' CD2' HD11 ' A' ' 65' ' ' LEU . 2.8 m-85 -120.36 -179.48 3.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.8 t -167.26 106.97 0.59 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.88 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.404 HD23 ' CD1' ' A' ' 41' ' ' TRP . 5.6 mp -108.66 131.67 54.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.419 ' HG3' ' N ' ' A' ' 58' ' ' GLN . 7.0 tpp85 -141.45 146.69 36.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.578 HE22 ' HB2' ' A' ' 37' ' ' ALA . 31.7 tt0 -115.06 121.06 41.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.919 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -119.35 80.11 1.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.857 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 46.58 93.87 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.53 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 1.018 ' HB2' HG22 ' A' ' 35' ' ' VAL . . . 49.91 36.52 11.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.779 0.323 . . . . 0.0 111.093 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 4.0 ttp -143.26 118.74 10.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.407 ' O ' ' CB ' ' A' ' 29' ' ' ARG . 2.8 mm? -94.32 158.69 15.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.959 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -153.22 124.55 7.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.666 HD22 ' CZ3' ' A' ' 41' ' ' TRP . 50.5 tp -125.81 106.99 10.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.7 t -92.21 131.77 38.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.142 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 97.8 t -129.97 114.99 31.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.155 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -91.45 172.81 8.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.7 t30 53.5 51.79 14.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 13.0 mt -60.98 142.84 56.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 -139.96 152.49 67.89 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.6 0.714 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -6.44 18.63 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.663 2.242 . . . . 0.0 112.351 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -97.89 -22.79 16.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.932 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 75' ' ' SER . 0.9 OUTLIER -70.22 -36.47 74.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 74' ' ' ASP . 47.2 m -36.98 132.63 0.67 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -170.01 -138.94 2.61 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.463 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 65.1 ttp85 -127.67 116.97 21.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.799 0.333 . . . . 0.0 110.924 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -89.2 160.11 17.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.935 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 84.0 p -161.12 151.87 18.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 47.6 t -136.99 134.47 36.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 72.7 m -109.08 117.57 34.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.812 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.565 ' CE1' ' O ' ' A' ' 38' ' ' PRO . 7.5 t80 -164.3 142.25 6.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 57.11 31.79 62.28 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.524 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 66.53 26.18 9.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.802 0.334 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -117.03 159.3 22.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 31.3 m -143.55 109.91 5.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.176 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.572 ' OG1' ' HB1' ' A' ' 14' ' ' ALA . 9.8 t -100.59 159.46 15.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.122 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 98.7 p -143.73 131.79 21.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -138.29 176.19 8.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.12 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 4.5 m -131.12 156.26 45.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.155 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 48.1 tp -128.79 142.54 50.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 62.1 m -117.78 132.67 56.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.151 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 89.0 t -129.81 123.2 56.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.148 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.702 ' HB ' HD12 ' A' ' 21' ' ' LEU . 25.1 m -88.04 129.13 35.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.128 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.38 120.28 17.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.084 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.629 ' C ' HD12 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -75.02 146.41 82.39 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.569 0.7 . . . . 0.0 110.91 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.521 ' N ' HD12 ' A' ' 96' ' ' LEU . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.164 0 C-N-CA 122.713 2.275 . . . . 0.0 112.312 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.635 HG13 ' HB3' ' A' ' 33' ' ' SER . 85.9 t . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.807 0.336 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 69.3 mtt-85 -101.84 163.47 12.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.417 ' HB3' ' HB2' ' A' ' 14' ' ' ALA . 10.6 m-85 -74.02 93.78 2.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.37 -62.05 1.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -118.59 57.05 0.87 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.418 ' HB1' ' OG1' ' A' ' 87' ' ' THR . . . -48.55 177.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.3 mt -58.57 178.7 0.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -155.49 160.07 40.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -63.67 129.98 42.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.836 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.52 ' HB2' HD12 ' A' ' 91' ' ' LEU . 9.7 mt -123.11 137.01 55.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -112.68 110.37 20.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 44.1 t -137.1 149.81 26.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.09 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.649 HD23 ' N ' ' A' ' 22' ' ' GLU . 2.3 tt -75.62 152.03 37.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.649 ' N ' HD23 ' A' ' 21' ' ' LEU . 4.8 pt-20 -61.73 179.57 0.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 52.16 44.89 57.59 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.513 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -151.36 -143.24 3.67 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.8 -0.715 . . . . 0.0 112.515 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -139.49 137.46 35.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.777 0.322 . . . . 0.0 111.093 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.688 ' HB2' HD11 ' A' ' 70' ' ' LEU . . . -113.76 113.34 24.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.114 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 46.1 m -105.58 120.73 42.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.165 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.541 HD13 HD23 ' A' ' 65' ' ' LEU . 6.7 mp -99.19 164.79 12.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 42.5 mtm180 -151.99 151.6 31.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 14.6 p -173.83 128.05 0.39 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 93.8 t -104.19 141.39 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.772 HD22 ' N ' ' A' ' 32' ' ' LEU . 0.7 OUTLIER -92.82 155.19 17.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.635 ' HB3' HG13 ' A' ' 9' ' ' VAL . 45.4 t -45.0 -24.72 0.25 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 t -158.12 152.24 24.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.763 ' HA ' ' HB2' ' A' ' 61' ' ' ALA . 39.0 t -53.14 107.34 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.12 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.96 136.6 37.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.13 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.852 ' HB1' ' HA ' ' A' ' 38' ' ' PRO . . . -173.87 166.92 2.54 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.599 0.714 . . . . 0.0 111.121 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.852 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 54.3 Cg_endo -69.71 176.33 32.88 Favored 'Cis proline' 0 C--N 1.341 0.184 0 C-N-CA 122.724 -1.782 . . . . 0.0 112.326 -0.016 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.57 HG21 HD11 ' A' ' 63' ' ' LEU . 40.4 t -117.11 150.0 19.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -104.56 138.36 41.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.474 ' CZ3' HD22 ' A' ' 65' ' ' LEU . 35.4 m95 -114.09 107.59 15.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.942 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 15.7 p -118.66 124.78 48.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -132.14 95.62 3.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 81.78 -162.16 42.81 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.504 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -48.48 -65.92 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.838 0.352 . . . . 0.0 110.92 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -71.26 170.11 13.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.4 p -118.07 145.44 23.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.174 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 30.1 mt -84.77 151.01 24.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.954 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 52.3 mtp180 -140.66 147.83 50.48 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.597 0.713 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.766 ' HD3' HD12 ' A' ' 56' ' ' LEU . 53.8 Cg_endo -69.76 134.53 28.22 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.7 2.266 . . . . 0.0 112.304 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -176.12 -128.22 1.1 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.5 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -89.19 -49.66 6.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.902 0.382 . . . . 0.0 110.85 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -62.27 -59.24 5.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -106.53 161.8 14.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.952 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.8 m -136.77 110.93 8.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.766 HD12 ' HD3' ' A' ' 50' ' ' PRO . 9.4 mt -113.99 114.66 26.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.962 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.479 ' HB3' ' CZ ' ' A' ' 57' ' ' ARG . 4.9 ptp180 -139.06 124.59 19.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 4.9 tm0? -98.52 144.24 28.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 60' ' ' GLY . 64.3 mt-10 -157.25 129.55 7.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.94 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 59' ' ' GLU . . . 34.78 60.85 0.63 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.439 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.763 ' HB2' ' HA ' ' A' ' 35' ' ' VAL . . . 52.65 47.18 25.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.798 0.332 . . . . 0.0 111.079 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 12.4 tpp -144.36 126.95 16.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.57 HD11 HG21 ' A' ' 39' ' ' VAL . 2.6 mm? -98.93 161.53 13.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -155.49 113.68 3.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.541 HD23 HD13 ' A' ' 28' ' ' LEU . 8.7 tp -116.98 106.75 13.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 82.2 t -94.01 122.47 45.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 85.7 t -116.32 104.68 17.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.146 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 -82.0 162.83 22.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.843 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.41 ' O ' ' NH2' ' A' ' 71' ' ' ARG . 0.2 OUTLIER 54.09 53.66 10.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.688 HD11 ' HB2' ' A' ' 26' ' ' ALA . 20.4 mt -62.58 156.25 23.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.913 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.41 ' NH2' ' O ' ' A' ' 69' ' ' ASN . 4.0 ptp85 -155.07 151.3 22.67 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.647 0.737 . . . . 0.0 110.859 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -19.72 35.56 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.723 2.282 . . . . 0.0 112.324 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -83.14 -1.33 52.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.926 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -99.44 -23.46 15.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.2 m -41.65 103.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.823 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -141.93 -150.33 5.34 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.493 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -116.4 106.23 13.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.843 0.354 . . . . 0.0 110.846 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -92.31 125.35 36.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 68.8 p -122.18 155.87 34.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.863 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 39.2 t -130.89 127.5 38.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.873 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 13.8 t -85.89 122.47 30.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.407 ' CE1' ' HG ' ' A' ' 32' ' ' LEU . 78.0 t80 -131.2 91.66 3.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.86 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 64.95 -94.08 0.17 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.492 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.78 -37.26 4.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.807 0.337 . . . . 0.0 110.908 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -84.58 151.19 24.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 88.4 m -138.28 131.43 30.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.171 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.418 ' OG1' ' HB1' ' A' ' 14' ' ' ALA . 14.9 t -102.94 157.89 16.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.101 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 89.0 p -150.21 128.94 12.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.837 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.98 167.53 18.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.099 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 35.5 m -117.87 131.21 56.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.157 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.52 HD12 ' HB2' ' A' ' 18' ' ' LEU . 15.9 tp -101.3 128.42 47.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 98.3 m -98.93 127.63 44.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.158 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 86.2 t -126.61 127.91 70.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 28.6 m -100.51 129.91 46.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.164 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.83 126.52 31.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.125 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.638 ' C ' HD12 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -64.32 147.09 97.47 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.613 0.72 . . . . 0.0 110.905 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.544 ' N ' HD12 ' A' ' 96' ' ' LEU . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.181 0 C-N-CA 122.674 2.249 . . . . 0.0 112.329 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.515 HG11 ' HE1' ' A' ' 82' ' ' PHE . 26.8 t . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.814 0.34 . . . . 0.0 111.112 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.3 mtt-85 -112.95 161.75 16.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.782 ' HB3' ' HB2' ' A' ' 14' ' ' ALA . 10.6 m-85 -89.7 100.45 13.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.881 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -60.63 -52.02 66.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.934 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 14' ' ' ALA . 18.6 tp10 -131.27 46.44 2.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.813 ' HB1' ' OG1' ' A' ' 87' ' ' THR . . . -34.36 151.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.103 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.574 HD22 ' HB3' ' A' ' 28' ' ' LEU . 10.9 mt -48.46 153.41 0.76 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.3 mtpt -135.26 -179.01 5.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -61.1 147.12 44.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.849 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.4 mt -142.72 158.69 43.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.956 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -135.87 128.67 31.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.488 HG22 HD11 ' A' ' 91' ' ' LEU . 9.5 m -147.39 166.7 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.099 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.56 HD23 ' N ' ' A' ' 22' ' ' GLU . 2.7 tt -100.36 149.2 23.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.56 ' N ' HD23 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -57.24 166.7 1.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.26 19.22 45.54 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.468 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -120.54 -148.74 8.12 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.466 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.653 ' HB2' ' HD3' ' A' ' 68' ' ' ARG . . . -140.45 143.23 35.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.85 0.357 . . . . 0.0 111.06 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.57 ' HB2' HD11 ' A' ' 70' ' ' LEU . . . -110.97 134.92 52.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 82.1 m -116.12 98.55 6.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.175 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.574 ' HB3' HD22 ' A' ' 15' ' ' LEU . 5.5 mp -95.9 107.81 20.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.3 ptt-85 -117.11 158.69 23.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.694 ' SG ' HD12 ' A' ' 63' ' ' LEU . 26.5 p -162.06 149.27 14.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 68.0 t -106.84 134.87 47.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.106 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.632 HD22 ' CD1' ' A' ' 82' ' ' PHE . 8.3 mt -100.75 155.22 18.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.956 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.9 t -70.76 -35.44 72.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.3 t -129.39 157.0 43.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.845 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 17.6 t -86.03 95.71 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.116 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.871 ' HB3' ' CZ ' ' A' ' 82' ' ' PHE . . . -122.57 150.99 41.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.134 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.849 ' HB1' ' HA ' ' A' ' 38' ' ' PRO . . . -168.86 167.02 6.14 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.618 0.723 . . . . 0.0 111.088 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.849 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 53.3 Cg_endo -69.76 175.01 38.25 Favored 'Cis proline' 0 C--N 1.342 0.219 0 C-N-CA 122.65 -1.813 . . . . 0.0 112.361 -0.04 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.598 HG21 HD21 ' A' ' 63' ' ' LEU . 9.2 t -108.07 140.11 27.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.075 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.2 tttp -107.83 138.19 44.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.715 ' CE3' HD22 ' A' ' 65' ' ' LEU . 28.1 m95 -120.08 111.06 17.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.3 p -106.3 153.26 22.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.4 ' O ' ' C ' ' A' ' 44' ' ' GLY . 19.2 t80 -133.51 147.16 51.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.937 -179.776 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 43' ' ' TYR . . . -38.1 -49.68 2.13 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.476 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -66.48 -72.49 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.871 0.367 . . . . 0.0 110.915 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.461 ' CG ' ' N ' ' A' ' 47' ' ' VAL . 1.1 t-20 -150.68 165.17 34.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.461 ' N ' ' CG ' ' A' ' 46' ' ' ASN . 11.5 p -50.53 151.43 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.097 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.0 mt -106.42 148.9 27.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 60.1 mtm180 -132.1 146.08 60.13 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.569 0.699 . . . . 0.0 110.878 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.833 ' HB3' HD13 ' A' ' 56' ' ' LEU . 53.7 Cg_endo -69.78 145.81 58.15 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.699 2.266 . . . . 0.0 112.31 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 174.54 -115.07 0.53 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.458 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -105.88 -62.18 1.4 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.89 0.376 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.65 -37.85 13.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.479 ' HB3' HD11 ' A' ' 65' ' ' LEU . 5.1 m-85 -122.65 164.77 17.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.942 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.1 t -143.1 119.06 10.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.833 HD13 ' HB3' ' A' ' 50' ' ' PRO . 4.2 mp -113.83 127.23 55.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.952 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 16.5 ttm180 -148.22 122.15 9.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -100.2 125.16 46.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.932 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -128.57 82.45 2.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 61' ' ' ALA . . . 52.13 101.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.466 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 60' ' ' GLY . . . 37.17 42.43 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.75 0.31 . . . . 0.0 111.085 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.7 ttp -147.26 139.15 24.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.694 HD12 ' SG ' ' A' ' 30' ' ' CYS . 5.8 mt -132.3 152.16 51.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -154.78 113.41 3.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.715 HD22 ' CE3' ' A' ' 41' ' ' TRP . 36.6 tp -108.39 125.76 52.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.3 t -110.48 130.72 63.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.2 t -124.64 107.2 17.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.653 ' HD3' ' HB2' ' A' ' 25' ' ' ALA . 27.8 mmt180 -86.9 170.57 11.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.5 m120 54.05 49.39 18.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.57 HD11 ' HB2' ' A' ' 26' ' ' ALA . 16.2 mt -65.18 172.55 2.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.935 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.6 mtp180 -162.35 157.72 19.62 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.598 0.713 . . . . 0.0 110.893 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -1.86 9.19 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.702 2.268 . . . . 0.0 112.337 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 17.2 mm100 -105.72 -37.88 6.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 75' ' ' SER . 0.8 OUTLIER -55.21 -41.16 71.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.805 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 74' ' ' ASP . 21.4 p -37.45 113.15 0.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.731 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -143.9 -124.94 1.85 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.514 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -129.85 108.56 10.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.817 0.341 . . . . 0.0 110.86 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -87.17 130.45 34.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.2 m -142.63 157.01 45.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.85 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 9.8 t -141.58 130.24 22.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 50.4 m -89.02 107.01 18.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.871 ' CZ ' ' HB3' ' A' ' 36' ' ' ALA . 49.1 t80 -134.61 95.24 3.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 85.37 -141.38 18.97 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.494 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -85.45 -39.68 17.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.798 0.333 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -88.8 138.59 31.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 18.9 m -117.61 132.31 56.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.813 ' OG1' ' HB1' ' A' ' 14' ' ' ALA . 14.0 t -90.28 157.86 17.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 94.9 p -153.79 125.76 7.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -130.55 175.83 8.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.097 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 47.6 m -134.67 145.22 48.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.488 HD11 HG22 ' A' ' 20' ' ' VAL . 10.2 tp -122.12 138.38 54.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 46.3 m -107.14 126.62 52.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 57.5 t -114.59 117.97 57.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.091 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 88.1 m -89.55 147.2 24.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.155 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -87.94 113.18 23.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.14 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.681 ' C ' HD12 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -50.98 144.9 12.95 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.677 0.751 . . . . 0.0 110.911 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.511 ' N ' HD12 ' A' ' 96' ' ' LEU . 54.1 Cg_endo . . . . . 0 C--N 1.342 0.231 0 C-N-CA 122.644 2.229 . . . . 0.0 112.395 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 87.9 t . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.841 0.353 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -117.5 143.3 46.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.587 ' HB3' ' HB2' ' A' ' 14' ' ' ALA . 8.8 m-85 -63.87 80.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.0 tp60 -48.87 -54.18 16.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -132.74 58.29 1.77 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.587 ' HB2' ' HB3' ' A' ' 11' ' ' PHE . . . -40.83 160.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.099 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.541 HD12 HG23 ' A' ' 87' ' ' THR . 6.1 mt -52.52 -176.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 17' ' ' ASP . 1.9 pptp? -169.23 142.52 2.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 16' ' ' LYS . 0.4 OUTLIER -37.22 141.32 0.15 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 179.88 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 mp -123.13 156.31 35.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -126.36 110.93 13.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 73.5 t -133.7 151.89 33.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.165 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.715 HD12 ' HB ' ' A' ' 94' ' ' THR . 12.1 tp -91.92 142.95 26.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -47.64 149.05 1.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.13 11.04 79.41 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.459 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -118.98 -147.67 8.19 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.463 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -140.57 152.89 45.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.831 0.348 . . . . 0.0 111.096 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -113.91 124.64 52.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.086 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 94.5 m -116.54 136.91 52.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.117 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.785 HD21 ' CE2' ' A' ' 78' ' ' TYR . 7.2 mp -104.85 134.87 47.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 32.3 mtm180 -134.68 127.87 31.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.541 ' SG ' HD23 ' A' ' 63' ' ' LEU . 23.2 p -158.3 131.35 7.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 69.1 t -104.74 137.32 34.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.123 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.401 HD11 HD21 ' A' ' 63' ' ' LEU . 8.1 mt -105.23 160.74 14.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 42.3 t -47.65 -41.35 22.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.6 m -149.1 142.13 24.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.427 ' HB ' ' N ' ' A' ' 61' ' ' ALA . 2.4 p -53.11 136.62 14.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.161 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -158.26 151.17 22.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.849 ' HB1' ' HA ' ' A' ' 38' ' ' PRO . . . -174.68 166.96 2.15 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.625 0.726 . . . . 0.0 111.114 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.849 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 53.9 Cg_endo -69.72 168.32 67.76 Favored 'Cis proline' 0 C--N 1.342 0.215 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.352 -0.035 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.821 HG21 HD11 ' A' ' 63' ' ' LEU . 12.6 t -112.83 152.27 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.163 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.0 tptm -109.14 130.26 55.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.753 ' HZ3' HD22 ' A' ' 28' ' ' LEU . 38.7 m95 -109.77 161.09 15.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.903 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.8 m -149.43 133.76 17.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.553 ' HB2' HD11 ' A' ' 48' ' ' LEU . 0.5 OUTLIER -150.85 132.46 14.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.951 -179.789 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 43' ' ' TYR . . . 34.54 59.87 0.65 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.5 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 60.0 t30 52.83 48.33 22.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.873 0.368 . . . . 0.0 110.906 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -158.05 -176.4 5.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.2 p -115.71 135.5 55.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.089 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.567 HD13 HD21 ' A' ' 65' ' ' LEU . 70.5 mt -96.17 91.32 5.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 62.0 mtm180 -101.19 155.17 36.65 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.622 0.725 . . . . 0.0 110.886 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.498 ' CD ' HD13 ' A' ' 56' ' ' LEU . 53.8 Cg_endo -69.75 161.22 46.79 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.706 2.271 . . . . 0.0 112.309 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 162.76 -137.98 5.11 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.524 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -87.35 -33.71 19.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.871 0.367 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.3 tptm -88.83 -39.2 14.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.943 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -118.97 173.84 6.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.948 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.722 ' C ' HD12 ' A' ' 56' ' ' LEU . 2.2 m -157.3 144.63 18.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.821 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.722 HD12 ' C ' ' A' ' 55' ' ' SER . 8.6 mp -134.27 134.59 42.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.952 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 39.8 mtt180 -145.44 118.98 9.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -91.49 130.21 37.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 60' ' ' GLY . 17.5 tt0 -127.59 81.37 2.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 59' ' ' GLU . . . 35.46 88.62 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.455 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.427 ' N ' ' HB ' ' A' ' 35' ' ' VAL . . . 59.69 50.79 6.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.782 0.325 . . . . 0.0 111.091 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 4.7 ttt -163.06 115.81 1.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.821 HD11 HG21 ' A' ' 39' ' ' VAL . 2.5 mm? -88.08 159.44 18.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -155.7 116.01 3.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.647 HD22 ' CZ3' ' A' ' 41' ' ' TRP . 24.7 tp -126.1 104.62 8.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.954 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 55.7 t -86.59 129.47 38.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.145 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 15.7 t -119.71 117.21 53.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.136 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 86.6 mtt180 -105.64 164.41 11.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.9 m120 66.97 49.6 1.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.566 ' CD2' HD21 ' A' ' 91' ' ' LEU . 12.7 mt -58.95 160.12 6.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.451 ' CG ' ' O ' ' A' ' 70' ' ' LEU . 15.3 mtm105 -161.13 152.76 16.18 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.607 0.718 . . . . 0.0 110.889 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -6.35 18.38 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.663 2.242 . . . . 0.0 112.347 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -107.4 -19.92 13.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.943 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -74.68 -25.71 59.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 67.3 m -49.61 105.33 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -138.05 -148.51 5.37 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.474 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 24.7 ttm180 -130.57 118.06 20.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.822 0.344 . . . . 0.0 110.837 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.785 ' CE2' HD21 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -122.24 135.25 54.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 -179.873 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 69.4 p -129.28 146.72 51.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.574 ' O ' HG23 ' A' ' 86' ' ' THR . 2.7 t -99.87 129.02 45.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.854 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 51.8 p -101.04 117.33 34.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -143.83 121.0 11.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 67.16 -108.87 2.61 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.469 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -117.81 -33.47 4.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.749 0.309 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.4 ' CD ' ' H ' ' A' ' 85' ' ' GLN . 0.4 OUTLIER -85.75 154.46 21.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.894 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.574 HG23 ' O ' ' A' ' 80' ' ' CYS . 95.2 m -144.92 134.37 23.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.165 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.541 HG23 HD12 ' A' ' 15' ' ' LEU . 10.8 t -108.82 136.93 47.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.205 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.9 t -120.82 138.21 54.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.864 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -132.18 170.9 14.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.087 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 75.8 m -131.28 147.87 52.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.566 HD21 ' CD2' ' A' ' 70' ' ' LEU . 32.4 tp -106.67 138.09 43.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 91.7 m -120.77 111.77 18.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.147 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.405 HG21 HD22 ' A' ' 70' ' ' LEU . 48.9 t -119.66 124.8 73.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.079 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.715 ' HB ' HD12 ' A' ' 21' ' ' LEU . 27.7 m -97.34 130.81 44.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.098 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.29 103.27 0.97 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.118 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.818 ' C ' HD12 ' A' ' 96' ' ' LEU . 0.4 OUTLIER -57.08 147.24 56.87 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.593 0.711 . . . . 0.0 110.899 -179.912 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.612 ' N ' HD12 ' A' ' 96' ' ' LEU . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.181 0 C-N-CA 122.648 2.232 . . . . 0.0 112.394 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.565 HG13 ' HB3' ' A' ' 33' ' ' SER . 75.1 t . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.819 0.342 . . . . 0.0 111.126 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -117.94 157.53 26.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -71.96 93.89 1.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -73.63 -50.85 19.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -127.02 62.19 1.34 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.456 ' HB1' ' OG1' ' A' ' 87' ' ' THR . . . -56.7 178.95 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.601 HD22 ' HB3' ' A' ' 28' ' ' LEU . 9.1 mt -63.17 162.06 12.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -146.42 147.46 31.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 179.848 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 16' ' ' LYS . 2.4 p30 -34.6 123.34 0.53 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.2 mt -107.53 157.41 18.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -136.93 126.65 25.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.478 HG11 ' HB2' ' A' ' 26' ' ' ALA . 4.2 m -156.49 167.17 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.09 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.484 HD23 ' N ' ' A' ' 22' ' ' GLU . 1.4 tt -98.5 149.18 22.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.484 ' N ' HD23 ' A' ' 21' ' ' LEU . 10.1 pt-20 -53.3 159.79 1.28 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.36 57.81 14.11 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.467 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -148.88 -147.45 4.53 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.459 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -141.0 115.5 9.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.82 0.343 . . . . 0.0 111.13 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.703 ' N ' HD11 ' A' ' 70' ' ' LEU . . . -121.25 120.95 36.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.102 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.7 t -110.13 149.86 29.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.137 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.601 ' HB3' HD22 ' A' ' 15' ' ' LEU . 6.0 mp -101.66 135.0 43.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 69.5 mtt180 -121.63 133.65 54.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 19.5 p -155.73 130.48 9.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.487 HG13 ' O ' ' A' ' 61' ' ' ALA . 79.1 t -107.18 145.47 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.093 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.679 HD13 ' HB3' ' A' ' 36' ' ' ALA . 4.7 mt -99.88 147.62 25.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.565 ' HB3' HG13 ' A' ' 9' ' ' VAL . 40.4 t -39.67 -44.38 1.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.832 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 36.9 t -148.37 163.09 38.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 88.7 t -44.05 115.46 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.679 ' HB3' HD13 ' A' ' 32' ' ' LEU . . . -144.91 126.9 15.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.099 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.881 ' HB1' ' HA ' ' A' ' 38' ' ' PRO . . . -172.62 167.15 3.16 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.587 0.708 . . . . 0.0 111.111 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.881 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 53.3 Cg_endo -69.78 179.03 23.47 Favored 'Cis proline' 0 C--N 1.341 0.162 0 C-N-CA 122.679 -1.801 . . . . 0.0 112.334 0.002 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.516 HG21 HD21 ' A' ' 63' ' ' LEU . 50.2 t -125.91 147.22 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.3 tttt -105.48 125.41 50.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.494 ' CE3' HD22 ' A' ' 65' ' ' LEU . 45.6 m95 -114.05 102.66 10.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.907 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.421 ' HB2' HG23 ' A' ' 47' ' ' VAL . 44.1 t -118.73 128.3 54.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.678 ' CD1' ' CD1' ' A' ' 78' ' ' TYR . 16.7 t80 -110.79 102.52 11.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.894 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.94 -112.24 3.42 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.532 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 17.0 t30 -103.46 -60.16 1.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.853 0.358 . . . . 0.0 110.916 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 -73.83 114.77 12.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.421 HG23 ' HB2' ' A' ' 42' ' ' CYS . 8.6 p -60.35 143.91 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.436 HD22 ' CE1' ' A' ' 54' ' ' TYR . 60.0 mt -76.51 149.75 36.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.925 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 44.4 mtp180 -135.93 141.25 35.95 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.617 0.722 . . . . 0.0 110.851 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 146.88 61.64 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.671 2.247 . . . . 0.0 112.321 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 174.83 -94.33 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.488 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -125.53 -60.87 1.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.886 0.375 . . . . 0.0 110.878 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.407 ' HD2' ' CE2' ' A' ' 54' ' ' TYR . 6.8 tmtt? -58.44 -43.23 88.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.842 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.436 ' CE1' HD22 ' A' ' 48' ' ' LEU . 85.8 m-85 -107.81 149.22 28.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.949 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.423 ' C ' HD12 ' A' ' 56' ' ' LEU . 16.2 m -136.25 130.54 33.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.423 HD12 ' C ' ' A' ' 55' ' ' SER . 5.9 mp -129.99 124.69 33.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.2 tpt85 -125.0 107.88 11.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.853 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.8 tm0? -88.69 134.2 33.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -159.92 129.38 5.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 41.87 -111.61 0.33 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.481 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.487 ' O ' HG13 ' A' ' 31' ' ' VAL . . . -122.89 30.72 6.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.784 0.325 . . . . 0.0 111.076 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -126.75 142.05 51.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.516 HD21 HG21 ' A' ' 39' ' ' VAL . 7.1 mt -128.73 152.42 48.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -147.8 115.09 6.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.494 HD22 ' CE3' ' A' ' 41' ' ' TRP . 9.7 tp -112.9 102.91 10.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 91.6 t -79.73 141.28 15.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.093 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 91.3 t -132.55 107.41 12.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.128 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 37.0 mtt-85 -92.53 167.85 11.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 49.2 t30 60.89 54.67 3.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.703 HD11 ' N ' ' A' ' 26' ' ' ALA . 34.4 mt -76.21 164.19 26.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.942 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.484 ' C ' HG11 ' A' ' 93' ' ' VAL . 25.1 mtp180 -160.08 158.9 26.84 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.607 0.718 . . . . 0.0 110.885 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 3.25 2.92 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.65 2.233 . . . . 0.0 112.343 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 24.0 mm100 -109.57 -38.55 5.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 75' ' ' SER . 67.0 m-20 -51.85 -40.03 59.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.843 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 74' ' ' ASP . 4.0 m -34.51 108.48 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -141.97 -132.65 2.76 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.499 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.469 ' HB3' ' CZ ' ' A' ' 77' ' ' ARG . 20.5 ttp-105 -130.57 104.41 7.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.863 0.363 . . . . 0.0 110.921 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.678 ' CD1' ' CD1' ' A' ' 43' ' ' TYR . 49.1 m-85 -95.59 139.38 31.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 67.9 m -144.88 152.72 40.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 11.1 t -124.15 128.8 49.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 31.9 t -88.4 123.91 33.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.853 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.442 ' CE2' HD22 ' A' ' 32' ' ' LEU . 28.7 t80 -141.3 117.72 10.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 55.34 -102.57 0.17 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.453 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -119.16 -32.67 4.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.729 0.3 . . . . 0.0 110.879 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -85.68 148.01 26.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . 0.4 HG22 ' N ' ' A' ' 87' ' ' THR . 85.7 m -130.88 152.89 49.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.096 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.456 ' OG1' ' HB1' ' A' ' 14' ' ' ALA . 14.3 t -121.83 158.87 27.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.136 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 88.2 p -151.21 132.94 14.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.837 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.54 ' HB2' ' HB2' ' A' ' 15' ' ' LEU . . . -133.02 170.35 15.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.116 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 35.8 m -132.32 125.25 30.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.104 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 34.6 tp -95.63 139.92 31.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.938 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 97.8 m -103.74 126.26 50.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.484 HG11 ' C ' ' A' ' 71' ' ' ARG . 64.6 t -119.0 117.66 55.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.095 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 91.5 m -91.98 141.59 28.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.13 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -83.36 125.18 31.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.625 ' C ' HD12 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -73.9 147.35 86.2 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.581 0.705 . . . . 0.0 110.906 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.545 ' N ' HD12 ' A' ' 96' ' ' LEU . 53.4 Cg_endo . . . . . 0 C--O 1.231 0.154 0 C-N-CA 122.666 2.244 . . . . 0.0 112.336 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.417 HG21 ' HB2' ' A' ' 36' ' ' ALA . 55.5 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.798 0.333 . . . . 0.0 111.171 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.419 ' HB3' ' NH1' ' A' ' 10' ' ' ARG . 4.5 mmm180 -99.58 129.07 45.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -58.56 89.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 38.7 tp60 -63.53 -66.1 0.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -122.57 68.5 0.96 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.546 ' HB1' ' OG1' ' A' ' 87' ' ' THR . . . -58.2 174.35 0.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.066 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.4 HD22 ' HB3' ' A' ' 28' ' ' LEU . 8.2 mt -52.7 157.28 1.64 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.8 pttt -141.86 159.13 42.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -47.04 135.24 9.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.415 HD23 ' CD1' ' A' ' 91' ' ' LEU . 12.4 tp -128.54 144.34 51.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -113.2 118.2 34.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 16.5 t -142.96 153.31 17.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.076 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.694 HD23 ' N ' ' A' ' 22' ' ' GLU . 5.2 tt -88.07 154.62 20.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.887 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.694 ' N ' HD23 ' A' ' 21' ' ' LEU . 12.1 pt-20 -69.39 157.78 36.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.79 27.62 68.67 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.464 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -137.14 -139.63 3.94 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.479 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -137.16 145.62 43.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.773 0.32 . . . . 0.0 111.07 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.756 ' HB2' HD11 ' A' ' 70' ' ' LEU . . . -111.69 123.18 49.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.1 m -116.01 114.85 25.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.4 ' HB3' HD22 ' A' ' 15' ' ' LEU . 4.2 mp -105.12 161.08 14.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 63.5 mtm-85 -145.81 157.69 43.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.409 ' SG ' HD23 ' A' ' 63' ' ' LEU . 26.1 p -167.66 125.4 1.2 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 46.9 t -104.21 121.67 56.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 23.4 mt -84.59 174.19 10.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.946 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.7 t -57.33 -32.13 66.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.417 ' C ' ' HB2' ' A' ' 61' ' ' ALA . 8.1 t -165.77 179.17 6.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 77.9 t -59.35 111.33 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.137 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.702 ' HB1' ' CZ ' ' A' ' 82' ' ' PHE . . . -135.0 119.51 18.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.069 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.852 ' HB1' ' HA ' ' A' ' 38' ' ' PRO . . . -171.72 166.97 3.82 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.597 0.713 . . . . 0.0 111.059 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.852 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 53.8 Cg_endo -69.71 154.31 93.09 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.726 -1.781 . . . . 0.0 112.364 -0.026 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.585 HG21 HD11 ' A' ' 63' ' ' LEU . 9.0 t -105.37 162.28 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.172 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.491 ' N ' HG12 ' A' ' 39' ' ' VAL . 44.6 tttm -110.86 148.36 32.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.65 ' CZ3' HD22 ' A' ' 65' ' ' LEU . 25.7 m95 -127.96 140.46 51.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 15.3 p -153.3 133.81 13.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.442 ' CD1' ' CE1' ' A' ' 78' ' ' TYR . 6.3 t80 -116.93 108.82 16.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.948 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.61 -99.18 0.72 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.484 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -128.04 45.37 2.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.825 0.345 . . . . 0.0 110.927 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -160.43 157.3 27.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.549 ' O ' HG13 ' A' ' 47' ' ' VAL . 10.0 p -99.64 119.71 48.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.098 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 74.6 mt -72.51 136.66 45.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.417 ' NH1' ' HB2' ' A' ' 49' ' ' ARG . 16.7 mtm105 -125.08 143.9 45.58 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.637 0.732 . . . . 0.0 110.881 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 129.79 18.25 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.672 2.248 . . . . 0.0 112.304 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -160.3 -140.4 2.88 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.512 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -85.31 -38.66 18.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.932 0.396 . . . . 0.0 110.887 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.2 tptm -73.66 -64.2 1.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -83.46 150.13 26.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 26.6 m -132.9 98.78 4.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.432 HD23 ' CD1' ' A' ' 41' ' ' TRP . 5.4 mp -108.41 100.91 10.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -105.37 108.48 20.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 23.2 tm0? -78.53 141.48 38.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -153.79 110.6 3.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.838 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 47.48 -123.13 8.16 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.465 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.417 ' HB2' ' C ' ' A' ' 34' ' ' SER . . . -102.69 53.3 0.78 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.786 0.327 . . . . 0.0 111.088 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.596 ' C ' HD22 ' A' ' 63' ' ' LEU . 22.2 ttp -155.43 140.14 17.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.769 ' N ' HD22 ' A' ' 63' ' ' LEU . 0.7 OUTLIER -121.66 132.85 54.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -122.39 135.81 54.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.84 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.65 HD22 ' CZ3' ' A' ' 41' ' ' TRP . 9.9 tp -135.46 116.79 14.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 73.7 t -110.0 115.65 50.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.076 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.0 t -113.97 107.24 22.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.111 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -80.6 179.36 7.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.837 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 56.32 45.42 22.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.756 HD11 ' HB2' ' A' ' 26' ' ' ALA . 12.3 mt -60.8 153.55 24.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 40.2 mtt-85 -149.33 153.26 37.21 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.612 0.72 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -6.64 19.07 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.71 2.273 . . . . 0.0 112.322 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -113.62 -29.84 7.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -55.84 -40.98 73.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.2 p -39.87 150.46 0.05 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.816 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -167.45 -125.23 0.76 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.474 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 36.3 ttp180 -128.67 99.53 5.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.878 0.37 . . . . 0.0 110.871 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.442 ' CE1' ' CD1' ' A' ' 43' ' ' TYR . 63.5 m-85 -90.02 107.78 19.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.0 p -127.34 124.42 38.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 36.0 t -91.23 136.64 32.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.919 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.3 m -106.42 132.57 52.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.702 ' CZ ' ' HB1' ' A' ' 36' ' ' ALA . 28.2 t80 -163.56 135.81 5.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 56.34 -116.6 7.7 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.489 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -115.19 -24.27 8.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.733 0.301 . . . . 0.0 110.862 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 26.8 mp0 -90.46 155.22 19.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 87.8 m -144.25 126.49 15.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.546 ' OG1' ' HB1' ' A' ' 14' ' ' ALA . 14.6 t -99.8 152.44 20.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.137 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 83.5 p -139.56 136.32 34.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -139.08 166.67 23.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.112 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 58.6 m -128.08 135.58 50.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.166 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.415 ' CD1' HD23 ' A' ' 18' ' ' LEU . 15.0 tp -99.67 125.44 45.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.955 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 55.3 m -95.36 106.42 18.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.126 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 59.4 t -96.78 118.46 43.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.142 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.8 m -85.12 124.57 31.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.112 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 96' ' ' LEU . . . -75.46 117.5 17.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.119 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.645 ' HG ' HD21 ' A' ' 21' ' ' LEU . 9.8 mt -35.75 145.48 0.22 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.627 0.727 . . . . 0.0 110.913 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.473 ' HD2' HD23 ' A' ' 96' ' ' LEU . 53.9 Cg_endo . . . . . 0 C--N 1.342 0.215 0 C-N-CA 122.716 2.277 . . . . 0.0 112.325 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 56.0 t . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.827 0.346 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.4 mtm105 -76.27 -175.03 3.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -124.56 86.95 2.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 46.2 tp60 -62.96 -53.44 54.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.871 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -132.17 74.54 1.59 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.871 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.918 ' HB1' HG21 ' A' ' 87' ' ' THR . . . -64.87 178.49 0.8 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.101 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.693 HD22 ' HB3' ' A' ' 28' ' ' LEU . 89.1 mt -55.93 148.28 17.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.955 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.12 151.33 51.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -42.0 154.79 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.5 mt -136.88 150.68 48.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -128.82 126.26 39.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.535 HG22 ' N ' ' A' ' 21' ' ' LEU . 2.6 p -157.17 160.18 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.136 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.535 ' N ' HG22 ' A' ' 20' ' ' VAL . 3.2 tp -107.06 131.6 53.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 21' ' ' LEU . 9.8 tp10 -37.78 125.7 1.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 112.42 41.08 1.07 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.475 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -160.53 -144.68 4.05 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.479 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.409 ' C ' HD11 ' A' ' 70' ' ' LEU . . . -139.58 153.17 47.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.783 0.325 . . . . 0.0 111.116 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -118.24 130.11 55.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.128 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 26.2 m -122.58 127.3 49.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.693 ' HB3' HD22 ' A' ' 15' ' ' LEU . 4.6 mp -109.11 132.45 54.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.888 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.4 mtm105 -124.26 131.84 53.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.5 p -150.55 131.68 14.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.849 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 46.9 t -103.45 136.06 38.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.191 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 22.2 mt -95.5 146.6 24.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 t -45.59 -31.79 2.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.1 m -140.89 174.45 10.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.831 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.789 HG22 ' HB2' ' A' ' 61' ' ' ALA . 84.6 t -85.11 95.65 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.147 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.03 129.9 38.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.864 ' HB1' ' HA ' ' A' ' 38' ' ' PRO . . . -174.96 166.97 2.01 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.609 0.718 . . . . 0.0 111.061 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.864 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 54.0 Cg_endo -69.75 -179.9 20.43 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.343 -0.014 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.9 m -123.01 175.32 6.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.7 tptp -110.82 122.18 47.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 52.8 m95 -99.98 160.11 14.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.921 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 46.5 t -152.28 119.93 6.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.702 ' HB3' HD11 ' A' ' 48' ' ' LEU . 4.3 t80 -146.89 111.13 5.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 43' ' ' TYR . . . 34.9 37.27 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.518 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 26.5 t30 -171.19 178.85 3.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.878 0.37 . . . . 0.0 110.849 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -70.74 -63.29 1.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 8.3 p -144.07 139.83 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.138 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.702 HD11 ' HB3' ' A' ' 43' ' ' TYR . 38.3 mt -88.58 146.2 25.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 47.9 mtp180 -124.26 143.99 44.38 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.596 0.712 . . . . 0.0 110.822 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 145.13 55.97 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.653 2.235 . . . . 0.0 112.372 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -179.75 -146.99 7.14 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.489 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -80.62 -46.61 15.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.874 0.369 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.1 tptt -61.32 -44.91 96.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -111.89 172.15 7.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.9 m -154.02 110.37 3.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.848 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.507 ' N ' HD12 ' A' ' 56' ' ' LEU . 6.5 mp -105.7 109.32 21.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 36.4 ttp180 -126.03 115.46 19.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.461 ' OE1' ' CD1' ' A' ' 63' ' ' LEU . 26.5 tp60 -85.79 137.71 32.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -133.35 82.55 2.0 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.21 -97.43 0.59 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.495 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.789 ' HB2' HG22 ' A' ' 35' ' ' VAL . . . -123.63 31.71 5.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.785 0.326 . . . . 0.0 111.137 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 18.1 tmm? -134.75 136.81 42.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.461 ' CD1' ' OE1' ' A' ' 58' ' ' GLN . 2.4 mm? -101.57 139.17 37.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.457 ' C ' ' OE1' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -128.65 127.07 41.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.916 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.8 tp -131.85 123.6 27.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 56.6 t -111.63 148.73 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 49.0 t -136.83 105.34 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 46.7 mtp180 -84.07 155.86 22.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 64.09 48.99 2.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.43 HD22 HD21 ' A' ' 91' ' ' LEU . 85.9 mt -53.92 152.41 5.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 84.3 mtm180 -143.86 151.87 54.08 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.601 0.715 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -2.43 10.16 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.696 2.264 . . . . 0.0 112.322 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -106.13 -26.45 11.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.1 -39.99 88.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 50.5 p -45.6 101.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.838 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -133.06 -120.41 2.12 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.504 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 19.7 ttm180 -129.0 94.3 3.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.851 0.358 . . . . 0.0 110.929 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.405 ' CE2' ' CG ' ' A' ' 43' ' ' TYR . 75.9 m-85 -87.83 103.88 16.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 82.7 p -117.36 145.22 44.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.834 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.9 t -118.2 110.53 17.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.858 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 70.6 m -97.63 127.95 43.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -162.75 109.63 1.23 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 91.99 -105.08 3.25 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.447 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -126.63 -41.08 1.88 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.798 0.332 . . . . 0.0 110.85 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -84.85 152.66 23.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 83.1 m -144.85 136.21 25.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.918 HG21 ' HB1' ' A' ' 14' ' ' ALA . 10.2 t -116.96 161.63 19.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.156 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 76.6 p -141.66 151.65 43.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.857 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -141.35 174.5 10.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.079 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 15.8 m -134.73 150.78 50.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.43 HD21 HD22 ' A' ' 70' ' ' LEU . 54.4 tp -115.81 136.47 53.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 40.0 m -103.46 112.0 24.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.188 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 59.9 t -122.79 108.7 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.164 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.455 ' HB ' HD12 ' A' ' 21' ' ' LEU . 27.1 m -90.49 135.73 33.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.76 121.7 13.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.084 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.434 ' CD2' ' HD2' ' A' ' 97' ' ' PRO . 13.8 mt -40.21 152.9 0.21 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.609 0.719 . . . . 0.0 110.906 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.434 ' HD2' ' CD2' ' A' ' 96' ' ' LEU . 53.1 Cg_endo . . . . . 0 C--N 1.341 0.161 0 C-N-CA 122.687 2.258 . . . . 0.0 112.305 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.558 HG13 ' HB3' ' A' ' 33' ' ' SER . 89.6 t . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.822 0.344 . . . . 0.0 111.09 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 55.9 mtt-85 -104.98 149.91 25.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.43 ' HB3' ' HB2' ' A' ' 14' ' ' ALA . 8.3 m-85 -74.94 104.9 5.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.48 ' HG3' ' N ' ' A' ' 13' ' ' GLU . 1.8 pt20 -83.86 -36.54 23.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.931 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.48 ' N ' ' HG3' ' A' ' 12' ' ' GLN . 8.2 mm-40 -134.97 50.87 2.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.43 ' HB2' ' HB3' ' A' ' 11' ' ' PHE . . . -45.47 165.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.123 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.525 HD22 ' HB3' ' A' ' 28' ' ' LEU . 6.6 mt -54.0 173.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.929 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.503 ' O ' ' CD1' ' A' ' 18' ' ' LEU . 32.8 mtmt -154.41 134.48 13.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.912 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -40.11 119.21 1.0 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.861 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.503 ' CD1' ' O ' ' A' ' 16' ' ' LYS . 3.0 mp -110.06 164.47 12.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -128.07 122.74 32.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.555 HG11 ' CD1' ' A' ' 70' ' ' LEU . 97.3 t -141.72 155.31 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.72 HD23 ' N ' ' A' ' 22' ' ' GLU . 4.4 tt -90.06 147.55 23.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.938 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.72 ' N ' HD23 ' A' ' 21' ' ' LEU . 5.5 pt-20 -60.54 142.63 55.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.52 37.84 8.58 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -149.25 -141.86 3.5 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.544 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -142.19 141.23 32.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.818 0.342 . . . . 0.0 111.09 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -112.89 116.87 30.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.086 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 25.3 m -102.31 113.21 26.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.802 HD13 HD23 ' A' ' 65' ' ' LEU . 5.1 mp -92.88 142.06 27.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 55.6 mtt180 -126.38 147.6 49.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 27.1 p -172.78 127.93 0.49 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.476 HG13 ' O ' ' A' ' 61' ' ' ALA . 59.7 t -103.37 146.71 10.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.803 HD22 ' CE2' ' A' ' 82' ' ' PHE . 8.8 mt -103.89 148.24 26.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.558 ' HB3' HG13 ' A' ' 9' ' ' VAL . 3.6 t -38.23 -43.55 0.79 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.826 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 81.7 p -139.26 172.32 12.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.61 HG13 ' O ' ' A' ' 60' ' ' GLY . 53.8 t -75.49 95.96 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.146 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -124.73 135.33 52.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.059 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.866 ' HB1' ' HA ' ' A' ' 38' ' ' PRO . . . -175.07 167.45 1.9 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.576 0.703 . . . . 0.0 111.106 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.866 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 54.4 Cg_endo -69.71 -179.52 19.3 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.347 -0.021 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.1 m -120.33 176.16 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.108 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 39.5 tttt -126.58 124.82 40.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.529 ' CZ3' HD22 ' A' ' 65' ' ' LEU . 62.5 m95 -110.15 112.5 24.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.1 p -127.04 125.16 40.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -116.04 94.12 4.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.37 -152.56 43.43 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.488 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 23.2 m-20 -49.57 -58.96 4.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.827 0.346 . . . . 0.0 110.872 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -70.64 171.23 10.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.1 t -119.16 132.91 67.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.127 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 81.5 mt -68.33 118.88 12.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.923 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.2 mmm180 -114.01 145.98 34.71 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.599 0.714 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 155.77 65.1 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.702 2.268 . . . . 0.0 112.318 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 150.89 -120.2 1.08 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.519 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -99.85 -43.93 6.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.83 0.348 . . . . 0.0 110.863 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.455 ' CG ' ' CE2' ' A' ' 54' ' ' TYR . 17.0 tptm -54.34 -53.59 51.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.455 ' CE2' ' CG ' ' A' ' 53' ' ' LYS . 12.8 m-85 -125.29 171.89 10.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.944 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.1 t -134.29 119.18 18.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.82 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 28.9 mt -113.19 93.52 4.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.953 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 20.2 ttp180 -102.46 118.09 36.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.432 ' NE2' ' HB2' ' A' ' 37' ' ' ALA . 36.3 tp60 -89.04 127.57 35.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -141.08 124.3 16.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.61 ' O ' HG13 ' A' ' 35' ' ' VAL . . . 41.73 -112.22 0.38 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.488 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.572 ' HB2' HG22 ' A' ' 35' ' ' VAL . . . -120.54 35.3 4.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.745 0.307 . . . . 0.0 111.083 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.467 ' CE ' HG23 ' A' ' 31' ' ' VAL . 5.1 ttm -137.23 143.13 42.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.605 HD21 HD11 ' A' ' 32' ' ' LEU . 3.2 mm? -106.95 151.07 25.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.894 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -135.82 124.15 23.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.802 HD23 HD13 ' A' ' 28' ' ' LEU . 4.5 tp -126.88 114.89 18.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 91.0 t -104.13 131.17 53.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.4 t -117.22 108.05 23.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.105 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 26.1 mtp85 -87.14 162.79 17.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.843 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 64.44 51.76 1.96 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.555 ' CD1' HG11 ' A' ' 20' ' ' VAL . 81.9 mt -64.53 153.92 37.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 26.0 mmm180 -147.36 156.64 46.02 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.577 0.703 . . . . 0.0 110.9 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -19.33 36.37 Favored 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.709 2.273 . . . . 0.0 112.366 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 18.1 pm0 -102.26 -24.89 13.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -56.23 -37.99 70.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.614 ' OG ' HG23 ' A' ' 93' ' ' VAL . 15.7 m -40.39 112.42 0.28 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -137.4 -141.35 4.21 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.486 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 18.8 ttp180 -116.71 101.94 9.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.785 0.326 . . . . 0.0 110.894 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -90.14 124.35 34.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 68.1 m -123.83 134.83 53.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 2.9 t -110.73 121.24 44.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.3 t -100.28 131.95 45.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.803 ' CE2' HD22 ' A' ' 32' ' ' LEU . 1.2 t80 -164.29 117.74 1.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 79.65 -115.58 4.11 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.488 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -113.93 -41.76 3.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.771 0.319 . . . . 0.0 110.904 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -82.65 159.05 22.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 38.8 m -145.82 117.72 8.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.177 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.8 t -94.42 156.28 16.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.163 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 97.8 p -141.29 136.52 31.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -134.91 175.22 9.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.064 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 96.1 m -128.21 144.45 51.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 21.5 tp -110.75 138.37 47.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.941 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 47.2 m -106.57 129.97 54.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.147 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.614 HG23 ' OG ' ' A' ' 75' ' ' SER . 52.7 t -126.3 123.06 62.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.171 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 25.4 m -93.04 129.22 39.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.146 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 96' ' ' LEU . . . -75.5 124.54 27.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.078 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.45 ' C ' ' O ' ' A' ' 95' ' ' ALA . 37.7 mt -34.43 148.39 0.1 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.609 0.718 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.342 0.198 0 C-N-CA 122.69 2.26 . . . . 0.0 112.353 179.888 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.7 m -118.86 172.33 7.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.879 0.371 . . . . 0.0 110.853 -179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 t -79.99 -56.83 3.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.826 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.29 38.08 0.17 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.518 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.7 m 43.6 44.61 5.36 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.912 0.387 . . . . 0.0 110.867 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.1 t -59.47 -62.04 2.18 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.905 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.64 146.26 4.45 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.524 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 155.74 65.17 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.697 2.265 . . . . 0.0 112.336 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 22.2 t -104.61 101.45 12.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.151 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -65.24 163.36 15.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.86 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.7 m-85 -110.92 87.69 2.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 21.3 tp60 -59.89 -55.42 34.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -133.25 73.8 1.53 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.883 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.71 ' HB1' ' OG1' ' A' ' 87' ' ' THR . . . -60.72 -178.34 0.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.155 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.65 HD22 ' HB3' ' A' ' 28' ' ' LEU . 4.4 mt -70.25 139.2 52.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.933 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.4 mmtp -117.89 165.92 13.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -52.03 132.59 32.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.432 ' CD1' ' HG ' ' A' ' 28' ' ' LEU . 7.1 mt -113.58 145.65 40.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.918 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -120.82 111.83 18.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.569 HG21 ' CD1' ' A' ' 70' ' ' LEU . 1.0 OUTLIER -142.22 152.26 18.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.105 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.627 HD23 ' N ' ' A' ' 22' ' ' GLU . 5.7 tt -101.61 147.8 25.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.907 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.627 ' N ' HD23 ' A' ' 21' ' ' LEU . 18.6 tt0 -58.31 123.13 15.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.93 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 124.11 27.62 1.35 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.478 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -156.3 -144.33 3.9 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.511 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -137.93 146.25 43.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.778 0.323 . . . . 0.0 111.105 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -112.89 122.02 46.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.112 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.421 ' CG2' ' HG2' ' A' ' 64' ' ' GLU . 45.4 m -118.92 109.5 16.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.143 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.65 ' HB3' HD22 ' A' ' 15' ' ' LEU . 2.6 mp -82.07 158.75 23.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 50.6 mtm180 -144.56 144.66 31.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.889 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.5 p -162.42 132.77 4.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.899 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 99.1 t -104.3 128.48 57.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.149 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 10.7 mt -83.76 158.4 21.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.0 t -68.16 -25.37 65.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.861 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.7 t -142.2 149.71 40.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.869 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.3 t -75.66 112.54 13.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.098 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -148.64 152.35 36.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.1 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.861 ' HB1' ' HA ' ' A' ' 38' ' ' PRO . . . -174.95 166.94 2.02 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.59 0.709 . . . . 0.0 111.075 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.861 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 53.4 Cg_endo -69.79 174.49 40.45 Favored 'Cis proline' 0 C--O 1.231 0.148 0 C-N-CA 122.74 -1.775 . . . . 0.0 112.302 0.028 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.732 HG21 HD11 ' A' ' 63' ' ' LEU . 94.7 t -112.62 163.31 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.15 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.611 ' N ' HG12 ' A' ' 39' ' ' VAL . 20.5 tttt -113.12 136.96 52.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.967 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.736 ' CD1' HD22 ' A' ' 56' ' ' LEU . 33.7 m95 -120.45 128.48 53.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.938 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.0 p -133.81 146.29 50.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.94 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -141.64 106.47 4.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 85.16 -101.67 2.54 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.488 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -114.91 -55.24 2.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.858 0.361 . . . . 0.0 110.908 -179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -73.31 163.09 28.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 8.1 p -94.42 136.59 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 97.2 mt -73.17 147.21 45.0 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 49.5 mtt180 -132.34 146.51 61.87 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.598 0.713 . . . . 0.0 110.861 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 130.78 19.88 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.677 2.251 . . . . 0.0 112.36 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -172.94 -143.2 4.1 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.492 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -81.09 -56.96 3.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.874 0.369 . . . . 0.0 110.875 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.4 tptm -51.61 -51.2 57.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 74.2 m-85 -114.34 152.11 31.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.89 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.3 t -135.58 107.42 7.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.82 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.736 HD22 ' CD1' ' A' ' 41' ' ' TRP . 2.8 mt -98.6 137.35 37.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 24.9 mmt-85 -141.18 135.74 31.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.3 tm0? -123.94 132.64 53.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.946 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -158.97 117.38 2.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 45.82 76.42 0.13 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.471 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 40.19 49.58 2.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.755 0.312 . . . . 0.0 111.103 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.462 ' C ' HD22 ' A' ' 63' ' ' LEU . 7.7 ttt -145.23 129.74 17.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.854 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.732 HD11 HG21 ' A' ' 39' ' ' VAL . 1.9 mm? -110.7 158.93 18.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.941 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.825 ' OE1' HG23 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -151.77 110.52 3.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.888 179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.5 tp -115.6 112.27 21.91 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.825 HG23 ' OE1' ' A' ' 64' ' ' GLU . 48.9 t -95.8 144.4 10.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.117 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.7 t -131.89 107.77 13.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.102 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 23.1 mmt180 -85.9 164.34 17.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 16.6 m-80 58.47 45.52 16.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.569 ' CD1' HG21 ' A' ' 20' ' ' VAL . 13.0 mt -49.66 126.94 14.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.925 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 39.4 mtp85 -130.6 154.02 81.61 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.648 0.737 . . . . 0.0 110.891 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -3.84 12.8 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.678 2.252 . . . . 0.0 112.364 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -107.9 -4.92 17.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.897 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 20.3 t0 -82.48 -29.69 30.39 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.879 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 69.5 m -48.31 114.09 0.88 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.862 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -146.39 -138.39 3.18 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.472 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -125.79 97.77 5.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.839 0.352 . . . . 0.0 110.947 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -90.89 107.49 19.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.918 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.9 p -117.19 129.93 56.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 23.3 t -96.46 123.35 40.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 41.7 m -94.31 107.87 19.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.843 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.401 ' CE1' ' HA ' ' A' ' 39' ' ' VAL . 2.7 t80 -152.16 124.65 8.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.899 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 83.45 -138.32 17.53 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.45 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -101.52 -27.18 13.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.756 0.313 . . . . 0.0 110.874 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -101.36 159.64 15.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.867 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 17.4 m -131.62 144.33 50.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.142 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.71 ' OG1' ' HB1' ' A' ' 14' ' ' ALA . 10.3 t -112.54 162.21 15.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.131 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 45.2 t -155.02 136.87 14.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.828 -179.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -138.21 173.1 11.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.061 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 90.8 m -130.38 139.97 50.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.196 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 34.1 tp -102.66 147.28 27.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 56.6 m -114.58 116.12 28.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.136 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 62.0 t -123.28 114.11 40.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.126 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 8.0 m -94.04 128.64 40.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.132 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.429 ' O ' ' C ' ' A' ' 96' ' ' LEU . . . -66.48 119.8 12.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.091 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.458 HD23 ' HD2' ' A' ' 97' ' ' PRO . 5.3 mt -35.82 144.0 0.26 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.556 0.694 . . . . 0.0 110.94 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.458 ' HD2' HD23 ' A' ' 96' ' ' LEU . 53.5 Cg_endo -69.69 -2.4 10.06 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.684 2.256 . . . . 0.0 112.311 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.4 t 56.86 48.77 15.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.824 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -74.14 -158.19 5.56 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.499 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 2.76 3.24 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.689 2.259 . . . . 0.0 112.368 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 16.4 m -51.16 140.36 16.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 80.6 p -64.07 -61.82 2.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.852 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.472 179.98 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.442 ' O ' ' C ' ' A' ' 3' ' ' SER . 1.3 t -93.58 168.54 10.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.878 0.37 . . . . 0.0 110.896 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.442 ' C ' ' O ' ' A' ' 2' ' ' SER . 62.6 p -35.18 118.25 0.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.86 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.42 122.82 5.44 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.481 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 p -129.22 174.83 9.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.875 0.369 . . . . 0.0 110.854 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.4 m -152.5 122.86 7.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.91 156.93 8.35 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.488 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -177.45 1.89 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.667 2.245 . . . . 0.0 112.371 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 43.2 t -65.55 105.05 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.111 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -74.07 143.78 45.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.906 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -81.57 92.94 6.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.898 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 16.8 tt0 -63.04 -57.26 11.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -130.02 66.19 1.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.881 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.592 ' HB1' ' OG1' ' A' ' 87' ' ' THR . . . -54.47 172.42 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.072 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.7 mt -49.38 168.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.7 mtmt -140.79 171.73 13.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.874 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 13.2 p-10 -76.35 123.13 25.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.6 mp -121.71 151.61 40.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.889 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.3 tm-20 -136.92 124.11 21.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.876 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.526 HG12 ' N ' ' A' ' 21' ' ' LEU . 98.2 t -142.13 158.74 20.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.618 HD12 ' HB ' ' A' ' 94' ' ' THR . 2.4 tp -83.87 143.59 29.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -51.53 166.85 0.11 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.69 36.27 92.12 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.506 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -144.23 -145.99 4.44 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.526 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -142.03 143.99 33.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.826 0.346 . . . . 0.0 111.103 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -116.85 114.74 24.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.112 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 12.0 m -104.53 105.47 15.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.152 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.594 ' N ' HD12 ' A' ' 28' ' ' LEU . 2.8 mp -91.15 150.94 21.17 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 26.2 mtt85 -139.51 151.99 46.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.0 p -164.15 139.46 6.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 82.3 t -115.33 143.99 23.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.139 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.404 ' N ' HD12 ' A' ' 32' ' ' LEU . 3.6 mp -110.1 156.72 20.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.953 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.1 t -53.46 -35.81 60.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.839 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.6 m -135.87 172.24 13.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.515 HG13 ' H ' ' A' ' 61' ' ' ALA . 5.9 t -92.2 105.44 16.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.126 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.422 ' HB3' ' HE2' ' A' ' 82' ' ' PHE . . . -136.94 132.51 34.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.098 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.872 ' HB1' ' HA ' ' A' ' 38' ' ' PRO . . . -161.54 167.02 13.77 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.605 0.717 . . . . 0.0 111.1 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.872 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 54.3 Cg_endo -69.65 174.32 40.66 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.728 -1.78 . . . . 0.0 112.381 -0.108 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.485 HG12 ' N ' ' A' ' 40' ' ' LYS . 30.5 t -115.4 158.05 15.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.115 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.485 ' N ' HG12 ' A' ' 39' ' ' VAL . 59.3 tttt -106.76 120.07 41.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.927 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.764 ' CD1' HD23 ' A' ' 56' ' ' LEU . 21.1 m95 -97.43 152.78 18.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.934 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 51.6 t -141.01 128.61 21.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.863 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.401 ' HB2' HD11 ' A' ' 48' ' ' LEU . 5.2 t80 -125.19 103.73 8.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.903 -179.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 68.43 -88.21 0.2 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.501 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -124.61 -56.97 1.58 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.879 0.371 . . . . 0.0 110.872 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -66.64 159.45 27.57 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.903 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.428 ' O ' HG13 ' A' ' 47' ' ' VAL . 8.8 p -93.77 129.35 44.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.151 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.401 HD11 ' HB2' ' A' ' 43' ' ' TYR . 83.7 mt -69.19 140.49 54.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.912 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 32.9 mtp180 -132.27 143.97 51.14 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.592 0.71 . . . . 0.0 110.879 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 138.51 38.12 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.7 2.267 . . . . 0.0 112.337 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -178.72 -111.0 0.29 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.516 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -112.36 -60.6 1.84 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.856 0.36 . . . . 0.0 110.899 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.408 ' HD2' ' CZ ' ' A' ' 54' ' ' TYR . 2.0 tmtt? -48.4 -49.33 35.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.408 ' CZ ' ' HD2' ' A' ' 53' ' ' LYS . 82.4 m-85 -107.28 168.03 9.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.911 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 8.2 t -148.45 105.86 3.65 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.854 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.764 HD23 ' CD1' ' A' ' 41' ' ' TRP . 5.1 mp -113.87 132.88 55.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.932 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 18.5 ttt85 -138.4 159.87 40.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.598 ' OE1' HD11 ' A' ' 63' ' ' LEU . 31.8 tp60 -121.41 132.8 54.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 60' ' ' GLY . 20.2 tt0 -150.27 106.23 3.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.845 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 59' ' ' GLU . . . 34.36 72.17 0.11 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.523 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.515 ' H ' HG13 ' A' ' 35' ' ' VAL . . . 51.96 49.56 20.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.752 0.311 . . . . 0.0 111.121 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.8 ttm -146.69 112.31 5.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.598 HD11 ' OE1' ' A' ' 58' ' ' GLN . 2.7 mm? -105.77 136.19 45.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.932 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -130.71 110.11 11.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.912 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.662 HD22 ' CZ3' ' A' ' 41' ' ' TRP . 4.0 tp -102.99 117.49 34.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.2 t -104.77 138.91 27.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.083 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 95.3 t -129.95 116.2 36.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.113 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 19.5 mmt85 -93.15 163.45 13.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.5 m120 56.63 52.61 9.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.846 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 18.0 mt -63.26 143.84 57.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.95 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 10.0 mtp180 -142.85 152.33 58.74 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.629 0.728 . . . . 0.0 110.831 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . 0.481 ' HG2' ' NE2' ' A' ' 73' ' ' GLN . 53.5 Cg_endo -69.81 1.64 4.28 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.674 2.249 . . . . 0.0 112.328 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.481 ' NE2' ' HG2' ' A' ' 72' ' ' PRO . 22.7 mp0 -103.29 -25.04 13.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 75' ' ' SER . 3.4 m-20 -76.44 -33.19 58.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.874 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 74' ' ' ASP . 6.1 p -36.09 124.57 0.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 -179.803 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -162.01 -137.05 2.11 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 8.2 ttp-105 -124.01 110.94 15.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.782 0.325 . . . . 0.0 110.821 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 21.8 m-85 -97.15 113.83 25.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.934 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 16.4 p -117.43 162.67 17.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.877 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 44.1 t -131.38 112.09 12.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.864 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 22.8 t -85.45 128.2 34.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.884 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.422 ' HE2' ' HB3' ' A' ' 36' ' ' ALA . 2.2 t80 -161.93 131.61 4.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.858 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 57.07 -128.16 46.67 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.508 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -103.36 -21.68 13.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.767 0.318 . . . . 0.0 110.847 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -98.65 140.58 32.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.933 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 83.7 m -129.75 134.67 47.74 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.108 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.592 ' OG1' ' HB1' ' A' ' 14' ' ' ALA . 14.6 t -103.16 158.25 16.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.16 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 89.2 p -151.35 122.4 7.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -121.57 171.93 8.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.086 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 99.1 m -127.88 143.44 51.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.128 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 15.2 tp -122.38 127.17 49.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.971 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 84.8 m -101.46 122.15 43.25 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.145 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 47.7 t -117.18 111.24 34.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.618 ' HB ' HD12 ' A' ' 21' ' ' LEU . 9.7 m -84.1 147.04 27.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.179 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 96' ' ' LEU . . . -92.87 123.43 36.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.087 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.416 ' C ' ' O ' ' A' ' 95' ' ' ALA . 12.6 mt -36.88 151.06 0.12 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.677 0.751 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -164.54 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.665 2.243 . . . . 0.0 112.32 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 68.6 m -153.27 163.76 39.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 79.81 172.17 43.37 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.498 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.74 101.55 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.682 2.254 . . . . 0.0 112.347 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 7.5 t -97.3 -44.27 6.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 36.9 m -93.27 -56.64 2.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.816 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.516 179.998 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 76.7 p -112.33 170.02 8.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.85 0.357 . . . . 0.0 110.866 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m -102.43 157.23 17.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.82 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.59 -133.9 1.88 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.456 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.6 m -66.06 81.55 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.817 0.341 . . . . 0.0 110.84 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.6 m -51.74 -48.25 63.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.876 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.12 -158.18 27.55 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.471 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 9' ' ' VAL . 53.7 Cg_endo -69.79 138.05 36.83 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.704 2.27 . . . . 0.0 112.346 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.447 ' C ' ' O ' ' A' ' 8' ' ' PRO . 39.0 t -33.98 114.14 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 12.4 mmm180 -98.74 172.71 7.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.835 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -94.95 92.46 6.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -69.23 -53.75 18.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.877 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -127.53 64.94 1.34 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.587 ' HB1' ' OG1' ' A' ' 87' ' ' THR . . . -56.67 -175.1 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 31.9 mt -64.53 169.68 4.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? -148.03 174.24 12.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 17.4 p-10 -66.65 135.72 54.5 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.862 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.469 ' CD1' ' HG ' ' A' ' 28' ' ' LEU . 11.5 mt -129.99 152.55 49.33 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 -179.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -136.62 129.4 30.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.856 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.625 HG12 ' N ' ' A' ' 21' ' ' LEU . 96.2 t -151.15 164.32 2.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.707 HD12 ' HB ' ' A' ' 94' ' ' THR . 17.5 tp -92.05 152.66 19.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.934 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -66.76 153.35 43.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.57 27.25 43.55 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.503 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -140.96 -141.05 3.93 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.476 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -141.39 145.59 35.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.809 0.338 . . . . 0.0 111.078 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.754 ' HB2' HD11 ' A' ' 70' ' ' LEU . . . -114.7 118.18 32.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.065 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 38.8 m -107.89 123.9 49.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.152 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.469 ' HG ' ' CD1' ' A' ' 18' ' ' LEU . 5.2 mp -105.32 158.35 16.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.0 mmt85 -142.68 150.26 39.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.881 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.418 ' SG ' HD23 ' A' ' 63' ' ' LEU . 29.1 p -166.45 127.09 1.68 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.907 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 37.9 t -108.85 132.68 56.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.482 HD11 ' CD2' ' A' ' 63' ' ' LEU . 4.0 mp -102.77 163.77 12.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.938 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 83.5 p -58.29 -22.93 54.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.4 m -163.31 148.86 11.49 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.856 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.45 ' HB ' ' N ' ' A' ' 61' ' ' ALA . 1.9 p -63.72 133.9 29.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.115 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.554 ' CB ' ' CZ ' ' A' ' 82' ' ' PHE . . . -146.17 151.16 37.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.098 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.859 ' HB1' ' HA ' ' A' ' 38' ' ' PRO . . . -174.08 167.03 2.42 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.557 0.694 . . . . 0.0 111.101 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.859 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 53.9 Cg_endo -69.72 158.83 90.47 Favored 'Cis proline' 0 C--O 1.231 0.152 0 C-N-CA 122.684 -1.798 . . . . 0.0 112.363 -0.046 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.3 t -109.84 144.24 18.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.117 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.422 ' HD2' ' N ' ' A' ' 41' ' ' TRP . 1.4 tmmm? -105.55 136.34 45.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.422 ' N ' ' HD2' ' A' ' 40' ' ' LYS . 39.6 m95 -120.05 110.6 16.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.911 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.5 t -131.2 137.58 49.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.826 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.421 ' O ' ' CG ' ' A' ' 43' ' ' TYR . 2.9 t80 -121.47 96.1 4.94 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.991 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 76.49 -110.58 3.07 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.471 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.7 m-80 -89.94 -67.14 0.86 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.815 0.34 . . . . 0.0 110.881 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 57.0 m-80 -59.41 159.84 7.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 93.2 t -111.28 124.69 68.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.161 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.4 mt -76.94 131.34 38.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.908 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 69.8 mtp180 -131.7 151.36 78.48 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.645 0.736 . . . . 0.0 110.844 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.68 142.28 47.84 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.676 2.251 . . . . 0.0 112.369 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -176.8 -111.83 0.3 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.511 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -110.76 -38.38 5.16 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.871 0.367 . . . . 0.0 110.873 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.6 mmmt -75.76 -53.74 8.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.885 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -95.12 157.83 15.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.925 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.7 t -138.66 111.91 8.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.843 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.6 mt -107.08 114.87 29.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.921 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 -122.12 112.32 18.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.493 HE22 ' HB2' ' A' ' 37' ' ' ALA . 54.2 tt0 -91.56 126.62 36.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 60' ' ' GLY . 36.0 mm-40 -126.76 82.81 2.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.847 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 59' ' ' GLU . . . 34.42 89.65 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.451 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.45 ' N ' ' HB ' ' A' ' 35' ' ' VAL . . . 64.63 48.54 2.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.795 0.331 . . . . 0.0 111.1 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.657 ' C ' HD22 ' A' ' 63' ' ' LEU . 6.1 tmm? -163.21 137.01 5.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.892 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.705 ' N ' HD22 ' A' ' 63' ' ' LEU . 1.1 mm? -127.93 150.1 50.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.928 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -144.6 114.69 7.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.892 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.7 tp -111.43 104.7 13.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 43.0 t -94.43 121.42 45.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.164 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.1 t -113.74 110.27 31.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 10.3 mmm-85 -83.77 168.19 16.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.8 m120 59.47 50.47 7.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.754 HD11 ' HB2' ' A' ' 26' ' ' ALA . 11.9 mt -60.74 144.4 52.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.921 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 48.4 mmm-85 -145.17 150.75 46.29 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.626 0.727 . . . . 0.0 110.849 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -15.81 37.1 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.689 2.259 . . . . 0.0 112.301 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -89.26 -5.5 57.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.935 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -98.55 -12.04 21.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.865 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.4 m -45.46 107.65 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.819 -179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -150.06 -163.47 11.17 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.437 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 51.4 ttp180 -120.97 119.9 33.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.841 0.353 . . . . 0.0 110.881 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -87.91 163.39 16.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.913 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 44.3 t -158.31 125.11 4.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.879 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 2.9 t -102.02 112.53 25.21 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.1 t -85.74 127.65 34.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.841 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.554 ' CZ ' ' CB ' ' A' ' 36' ' ' ALA . 19.6 t80 -155.53 132.0 10.35 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 59.47 -113.34 5.1 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.495 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -116.74 -35.6 4.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.787 0.327 . . . . 0.0 110.924 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -81.81 152.1 27.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.928 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 66.8 m -143.08 137.06 28.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.135 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.587 ' OG1' ' HB1' ' A' ' 14' ' ' ALA . 13.2 t -122.47 156.91 33.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.104 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 54.2 p -146.95 151.15 36.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -140.75 151.58 44.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.058 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 95.3 m -99.33 138.72 36.03 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.134 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 31.0 tp -115.51 122.73 46.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.937 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 63.4 m -102.58 123.67 46.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.128 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 58.2 t -115.23 127.62 72.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.161 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.707 ' HB ' HD12 ' A' ' 21' ' ' LEU . 86.6 m -88.72 139.36 30.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.116 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -91.78 129.63 37.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.09 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 69.9 mt -43.69 145.01 1.24 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.628 0.728 . . . . 0.0 110.931 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 159.88 51.72 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.657 2.238 . . . . 0.0 112.321 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 37.2 m -98.76 -66.2 0.92 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.822 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 174.42 83.44 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.435 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -22.8 31.35 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.694 2.263 . . . . 0.0 112.323 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 32.8 t -43.73 -51.02 7.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.841 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 95.7 p -107.6 140.75 40.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.826 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.472 -179.962 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -133.54 146.03 50.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.859 0.361 . . . . 0.0 110.871 -179.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.3 t -73.84 103.94 4.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.881 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.98 76.02 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.514 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.7 m -68.99 156.35 38.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.897 0.38 . . . . 0.0 110.853 -179.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.8 t -117.38 100.87 7.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.894 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -146.05 -94.03 0.15 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.543 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 168.73 20.77 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.678 2.252 . . . . 0.0 112.348 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.576 HG21 ' HZ ' ' A' ' 82' ' ' PHE . 23.7 t -103.15 136.37 36.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -105.18 131.07 53.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.852 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.461 ' HB3' ' HB2' ' A' ' 14' ' ' ALA . 10.8 m-85 -66.68 76.21 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.858 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -52.16 -49.02 64.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.864 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 12.9 mp0 -134.35 78.14 1.74 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.461 ' HB2' ' HB3' ' A' ' 11' ' ' PHE . . . -77.6 -177.36 4.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.127 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 76.7 mt -45.09 169.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.936 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 47.5 pttt -159.11 162.94 36.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -50.17 140.14 13.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.849 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.462 ' HB2' HD12 ' A' ' 91' ' ' LEU . 45.4 mt -129.03 157.69 40.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.93 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -133.59 120.12 20.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.844 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.488 HG22 ' N ' ' A' ' 21' ' ' LEU . 3.3 p -154.59 157.27 4.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.184 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.6 HD23 ' O ' ' A' ' 22' ' ' GLU . 10.0 tt -112.53 142.04 45.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.923 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.6 ' O ' HD23 ' A' ' 21' ' ' LEU . 4.5 tm-20 -47.26 124.54 6.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 121.75 32.06 1.06 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.469 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -160.91 -143.65 3.74 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.512 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.404 ' C ' HD11 ' A' ' 70' ' ' LEU . . . -140.93 156.84 46.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.79 0.329 . . . . 0.0 111.102 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -112.08 131.86 55.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.074 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 94.2 m -117.61 96.17 5.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.137 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.518 HD13 HD23 ' A' ' 65' ' ' LEU . 5.0 mp -82.35 126.32 32.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.943 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.5 mmt180 -116.63 150.09 38.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -165.97 129.63 2.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.841 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.527 HG22 ' HG3' ' A' ' 62' ' ' MET . 46.1 t -110.24 133.23 56.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.126 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.551 HD13 ' CE2' ' A' ' 82' ' ' PHE . 3.6 mt -101.49 165.79 11.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.0 t -54.47 -20.08 6.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.5 t -171.61 148.26 2.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.594 ' N ' ' HB2' ' A' ' 61' ' ' ALA . 1.9 p -57.22 118.71 2.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.187 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.8 134.37 40.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.119 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.872 ' HB1' ' HA ' ' A' ' 38' ' ' PRO . . . -165.97 166.94 9.27 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.553 0.692 . . . . 0.0 111.112 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.872 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 53.7 Cg_endo -69.73 152.67 92.46 Favored 'Cis proline' 0 C--N 1.341 0.158 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.343 -0.037 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.0 m -100.84 175.59 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.151 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 65.8 tttt -123.66 126.39 46.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 30.5 m95 -119.27 105.11 11.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.97 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.414 ' HB3' HG23 ' A' ' 47' ' ' VAL . 23.7 p -129.43 146.94 51.21 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.878 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.401 ' O ' ' CG ' ' A' ' 43' ' ' TYR . 3.2 t80 -127.83 95.44 4.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 99.31 -102.02 2.49 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.468 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.8 p-10 -111.77 -54.91 2.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.804 0.335 . . . . 0.0 110.854 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -74.12 167.96 20.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.414 HG23 ' HB3' ' A' ' 42' ' ' CYS . 6.7 p -107.16 139.51 28.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.156 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.4 mt -79.73 147.6 31.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 28.1 mtp85 -126.17 144.55 49.38 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.579 0.704 . . . . 0.0 110.876 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.465 ' HB3' HD13 ' A' ' 56' ' ' LEU . 53.8 Cg_endo -69.73 153.7 68.73 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.644 2.23 . . . . 0.0 112.339 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 166.94 -142.19 7.42 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.507 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.79 -58.63 3.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.884 0.373 . . . . 0.0 110.86 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.0 tptp -51.16 -46.59 62.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -105.13 177.23 4.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.947 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 11.0 m -158.73 105.86 1.84 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.9 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.465 HD13 ' HB3' ' A' ' 50' ' ' PRO . 6.8 mp -102.2 118.86 37.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.878 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.0 tpt180 -132.12 120.89 22.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.444 ' OE1' ' HB2' ' A' ' 37' ' ' ALA . 52.4 tt0 -108.09 118.07 35.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.893 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -111.38 82.96 1.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 41.66 90.22 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.506 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.594 ' HB2' ' N ' ' A' ' 35' ' ' VAL . . . 58.98 52.77 6.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.822 0.344 . . . . 0.0 111.131 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.527 ' HG3' HG22 ' A' ' 31' ' ' VAL . 2.1 ttt -168.33 109.71 0.55 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -93.28 153.64 18.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -148.04 107.99 4.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.518 HD23 HD13 ' A' ' 28' ' ' LEU . 8.0 tp -107.37 112.5 25.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.938 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 61.4 t -100.39 126.9 53.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 97.1 t -117.41 106.9 20.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.132 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -79.14 155.86 28.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.463 ' O ' ' CD ' ' A' ' 71' ' ' ARG . 27.6 m-20 63.27 54.66 1.99 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.878 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.404 HD11 ' C ' ' A' ' 25' ' ' ALA . 17.8 mt -58.83 161.41 4.88 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.463 ' CD ' ' O ' ' A' ' 69' ' ' ASN . 0.0 OUTLIER -166.5 152.51 8.0 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.645 0.736 . . . . 0.0 110.868 179.933 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -13.05 34.19 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.732 2.288 . . . . 0.0 112.344 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -83.74 -8.54 59.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.922 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -89.95 -28.12 19.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 25.1 m -40.38 102.06 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -141.18 -133.66 2.95 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.552 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 53.8 ttp180 -129.13 106.53 8.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.798 0.333 . . . . 0.0 110.888 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -95.6 121.47 37.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.936 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 35.4 p -133.43 123.89 26.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.855 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 51.9 t -93.94 115.73 28.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 29.5 t -86.94 126.27 34.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 -179.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.576 ' HZ ' HG21 ' A' ' 9' ' ' VAL . 6.6 t80 -161.34 138.96 9.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.849 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 61.18 -112.62 4.88 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.501 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 16.6 p-10 -122.86 -32.04 3.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.794 0.33 . . . . 0.0 110.859 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 34.0 mt-30 -81.43 159.49 24.26 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.8 m -138.99 124.41 19.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.15 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 10.1 t -97.91 159.73 14.75 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.135 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 52.9 p -151.74 132.79 14.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.82 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -142.5 172.87 12.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.113 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 28.7 m -133.35 143.24 48.84 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.462 HD12 ' HB2' ' A' ' 18' ' ' LEU . 54.5 tp -99.37 142.28 31.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.89 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 95.4 m -107.52 100.27 9.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.129 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 53.3 t -111.12 120.24 61.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.103 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 31.6 m -82.05 132.98 35.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.153 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -67.59 108.29 2.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.082 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.801 ' C ' HD12 ' A' ' 96' ' ' LEU . 0.4 OUTLIER -41.14 144.03 0.71 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.62 0.724 . . . . 0.0 110.918 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.53 ' N ' HD12 ' A' ' 96' ' ' LEU . 53.9 Cg_endo -69.7 93.23 0.51 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.692 2.261 . . . . 0.0 112.376 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 97' ' ' PRO . 29.9 m -36.99 120.08 0.71 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.812 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -159.28 -158.15 8.94 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.522 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 2.83 3.18 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.66 2.24 . . . . 0.0 112.32 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 18.9 t -71.85 87.34 0.99 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.823 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.3 t -49.86 -48.19 51.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.874 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.473 179.99 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.3 p -99.55 120.8 40.24 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.873 0.368 . . . . 0.0 110.841 -179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.5 m -86.83 169.11 12.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.849 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.6 161.03 22.36 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.477 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.4 p -72.24 -44.67 62.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.947 0.403 . . . . 0.0 110.898 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 66.2 m 62.54 42.1 8.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.887 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.73 174.35 22.11 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.513 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 149.6 67.15 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.735 2.29 . . . . 0.0 112.364 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 36.6 t -112.93 119.28 60.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.085 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 32.7 mmt180 -86.39 163.53 17.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.893 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -97.25 87.97 4.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 26.9 tp60 -62.55 -56.74 15.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.918 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -127.69 67.59 1.32 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -58.53 179.35 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.7 mt -61.79 169.76 2.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.903 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.5 mtpt -152.17 135.83 16.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.944 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -39.23 121.8 1.19 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.897 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.6 mp -109.79 164.51 12.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.945 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -135.09 124.03 24.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.853 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.8 t -148.74 152.02 12.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.179 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.7 HD12 ' HB ' ' A' ' 94' ' ' THR . 6.7 tp -96.33 141.56 29.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.953 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -55.5 126.04 23.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 129.2 18.4 1.68 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.496 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -153.55 -140.94 3.16 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.447 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -137.44 158.23 44.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.787 0.327 . . . . 0.0 111.097 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -117.42 121.44 41.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.107 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 9.8 m -102.09 111.7 24.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.19 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.5 mp -100.88 116.93 33.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.911 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 44.1 mtm180 -113.44 156.03 24.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.0 p -165.97 137.04 3.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.92 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 87.2 t -112.19 137.71 43.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.1 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.461 HD11 HD21 ' A' ' 63' ' ' LEU . 34.0 mt -99.91 168.85 9.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.8 t -63.09 -26.74 68.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 10.9 p -156.71 -177.54 6.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.873 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 41.5 t -83.63 91.68 2.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.141 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -117.49 142.76 46.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.058 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.841 ' HB1' ' HA ' ' A' ' 38' ' ' PRO . . . -173.88 166.98 2.53 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.608 0.718 . . . . 0.0 111.092 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.841 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 53.9 Cg_endo -69.69 176.48 32.2 Favored 'Cis proline' 0 C--N 1.342 0.187 0 C-N-CA 122.688 -1.797 . . . . 0.0 112.384 -0.074 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.503 HG22 ' N ' ' A' ' 40' ' ' LYS . 7.6 p -115.25 157.54 15.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.115 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.503 ' N ' HG22 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -116.59 118.17 31.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.877 179.907 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.616 ' CE3' HD22 ' A' ' 65' ' ' LEU . 23.3 m95 -104.29 111.41 24.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.915 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.0 t -110.17 136.6 49.14 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.637 ' HB3' HD21 ' A' ' 48' ' ' LEU . 9.9 t80 -150.7 114.43 4.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 69.1 -122.8 13.47 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.5 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 17.0 m-20 -118.44 50.33 1.19 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.869 0.366 . . . . 0.0 110.929 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -171.57 160.43 5.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.842 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 75.2 t -99.29 119.18 46.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.162 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.637 HD21 ' HB3' ' A' ' 43' ' ' TYR . 33.7 mt -64.17 131.04 46.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 64.4 mtt180 -131.06 151.65 79.3 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.6 0.714 . . . . 0.0 110.838 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 137.79 36.3 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.678 2.252 . . . . 0.0 112.336 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -175.51 -110.16 0.25 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.492 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -112.55 -47.43 3.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.859 0.361 . . . . 0.0 110.866 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 21.6 tptt -72.49 -46.15 56.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.442 ' CE1' HG22 ' A' ' 67' ' ' VAL . 40.4 m-85 -112.12 162.32 15.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.942 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.3 t -146.8 123.77 11.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.871 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -109.59 113.63 26.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.85 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.7 tpp180 -132.31 142.42 49.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.3 tt0 -117.96 138.08 52.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -133.46 86.08 2.26 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 44.1 78.8 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.442 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 62.52 48.22 4.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.81 0.338 . . . . 0.0 111.075 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 4.4 tmm? -158.79 119.12 3.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.461 HD21 HD11 ' A' ' 32' ' ' LEU . 0.7 OUTLIER -100.17 159.38 15.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.926 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.494 ' OE1' HG23 ' A' ' 66' ' ' VAL . 0.7 OUTLIER -153.36 125.14 7.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.616 HD22 ' CE3' ' A' ' 41' ' ' TRP . 13.6 tp -120.56 107.25 12.61 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.914 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.494 HG23 ' OE1' ' A' ' 64' ' ' GLU . 24.3 t -83.3 143.36 12.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.132 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.442 HG22 ' CE1' ' A' ' 54' ' ' TYR . 60.8 t -134.56 106.02 7.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.0 ptp180 -94.69 154.73 17.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 11.0 t-20 67.86 51.74 0.76 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.941 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 11.6 mt -54.99 151.28 9.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.92 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 68.3 mtm180 -155.47 154.93 29.14 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.593 0.711 . . . . 0.0 110.854 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -15.12 37.02 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.688 2.259 . . . . 0.0 112.327 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -85.9 -4.82 59.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 -86.22 -33.69 20.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 59.4 m -41.68 100.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -140.92 -131.37 2.7 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.461 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.414 ' HB2' ' NH1' ' A' ' 77' ' ' ARG . 6.3 ttm105 -129.55 105.19 7.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.859 0.361 . . . . 0.0 110.813 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.631 ' CE2' ' CE1' ' A' ' 43' ' ' TYR . 49.5 m-85 -97.03 138.06 35.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.1 p -156.93 151.74 25.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.805 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 2.1 t -124.72 114.2 18.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.873 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.7 t -83.49 132.4 34.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.832 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -155.77 115.83 3.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 66.02 -115.14 7.19 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.532 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 20.0 p-10 -110.51 -28.92 8.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.755 0.312 . . . . 0.0 110.859 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 24.1 mm100 -94.64 144.01 25.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.917 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 53.9 m -142.3 137.16 30.41 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.169 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 9.0 t -104.38 155.36 18.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.159 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.5 m -146.41 120.94 9.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.839 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -127.25 172.37 10.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.095 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 28.0 m -126.71 150.58 48.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.129 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 22.3 tp -115.98 130.31 56.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.907 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 97.1 m -95.77 124.27 39.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 66.4 t -129.42 112.14 24.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.127 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.7 ' HB ' HD12 ' A' ' 21' ' ' LEU . 4.4 m -95.07 132.16 40.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.169 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.5 107.95 5.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.105 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.786 ' C ' HD12 ' A' ' 96' ' ' LEU . 0.4 OUTLIER -52.26 144.68 21.47 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.618 0.723 . . . . 0.0 110.897 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.548 ' N ' HD12 ' A' ' 96' ' ' LEU . 53.0 Cg_endo -69.78 97.31 0.63 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.628 2.219 . . . . 0.0 112.34 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 5.4 m -71.98 124.11 24.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.829 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -155.16 -158.24 8.64 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.469 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -25.07 28.79 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.683 2.255 . . . . 0.0 112.365 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 57.2 p -66.27 -58.55 5.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.85 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 80.0 p -114.21 44.2 1.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.825 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.455 -179.967 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 76.9 p -142.7 167.94 20.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.875 0.369 . . . . 0.0 110.823 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.7 m -98.35 140.57 32.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.867 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.61 -168.97 29.6 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.473 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.2 m -135.86 177.92 7.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.916 0.389 . . . . 0.0 110.844 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t 41.02 38.91 0.75 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.825 -179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.1 -165.0 8.87 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.438 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 176.47 6.72 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.721 2.28 . . . . 0.0 112.312 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.594 HG21 ' CZ ' ' A' ' 82' ' ' PHE . 3.4 t -126.59 159.99 35.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.155 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.41 ' N ' HG12 ' A' ' 9' ' ' VAL . 4.7 ttt180 -133.48 144.81 49.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.9 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.736 ' HB3' ' HB2' ' A' ' 14' ' ' ALA . 10.8 m-85 -73.11 83.11 1.3 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 56.5 tp60 -56.64 -52.58 64.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.4 ' O ' ' O ' ' A' ' 14' ' ' ALA . 5.8 tt0 -127.51 54.15 1.7 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.822 ' HB1' ' OG1' ' A' ' 87' ' ' THR . . . -44.09 169.08 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.082 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.619 HD22 ' HB3' ' A' ' 28' ' ' LEU . 43.3 mt -48.25 165.49 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.2 mppt? -142.6 172.02 13.26 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.878 179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -68.73 127.06 31.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.834 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.453 ' CD1' ' HG ' ' A' ' 28' ' ' LEU . 10.9 mt -126.95 159.2 34.75 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.933 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -136.44 134.85 38.14 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 21' ' ' LEU . 86.6 t -145.76 152.48 14.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.136 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.606 HD13 ' N ' ' A' ' 22' ' ' GLU . 0.3 OUTLIER -79.19 128.93 33.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.906 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.606 ' N ' HD13 ' A' ' 21' ' ' LEU . 17.6 tt0 -41.55 153.82 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.921 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.68 7.22 79.52 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.508 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -112.64 -146.7 9.97 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.482 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -137.89 151.66 48.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.826 0.346 . . . . 0.0 111.089 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -110.79 140.43 45.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.09 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 21.4 m -117.77 112.85 20.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.172 -179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.619 ' HB3' HD22 ' A' ' 15' ' ' LEU . 5.6 mp -115.5 127.09 55.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.951 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.5 ptt180 -141.17 132.06 25.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.814 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.832 ' SG ' HD23 ' A' ' 63' ' ' LEU . 6.5 p -120.99 -179.57 4.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.883 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 94.6 t -146.26 117.68 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.737 HD22 ' N ' ' A' ' 32' ' ' LEU . 1.1 mm? -86.18 158.25 19.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.871 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.9 t -58.92 -19.58 43.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.3 m -159.91 116.84 2.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.829 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.417 ' HB ' ' N ' ' A' ' 61' ' ' ALA . 1.9 p -38.73 134.59 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.113 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.636 ' HB3' ' CZ ' ' A' ' 82' ' ' PHE . . . -159.65 141.89 13.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.106 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.882 ' HB1' ' HA ' ' A' ' 38' ' ' PRO . . . -163.47 167.01 11.95 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.622 0.725 . . . . 0.0 111.091 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.882 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 53.8 Cg_endo -69.77 156.68 92.7 Favored 'Cis proline' 0 C--N 1.342 0.215 0 C-N-CA 122.645 -1.815 . . . . 0.0 112.348 -0.018 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.5 t -106.48 153.87 7.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.063 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.0 tttp -109.71 137.53 47.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.876 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.577 ' CD1' HD23 ' A' ' 56' ' ' LEU . 15.4 m95 -111.15 161.19 16.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.92 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.2 m -154.13 135.88 14.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.907 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.403 ' O ' ' N ' ' A' ' 45' ' ' ASN . 7.0 t80 -130.47 102.92 6.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.944 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 61.43 -81.14 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.474 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.403 ' N ' ' O ' ' A' ' 43' ' ' TYR . 2.3 m-80 -128.6 -51.62 1.26 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.859 0.362 . . . . 0.0 110.882 -179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 31.3 m-20 -69.16 142.93 54.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 62.3 t -86.4 121.06 37.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 95.8 mt -66.85 137.79 56.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 38.5 mtt180 -138.72 150.26 65.13 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.632 0.729 . . . . 0.0 110.843 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 147.69 63.08 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.662 2.241 . . . . 0.0 112.321 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 176.93 -132.09 1.97 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.451 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.8 p-10 -95.8 -39.98 9.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.83 0.348 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.7 mmmm -76.2 -47.9 22.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -99.45 176.52 5.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.92 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 16.9 t -162.78 116.79 1.71 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 -179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.577 HD23 ' CD1' ' A' ' 41' ' ' TRP . 6.8 mp -115.69 131.37 56.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.893 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.4 ttt180 -144.03 136.04 26.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.845 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.641 ' OE1' HD13 ' A' ' 63' ' ' LEU . 3.4 tp60 -107.67 128.95 55.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -131.7 88.24 2.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.878 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 38.73 85.02 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.474 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.417 ' N ' ' HB ' ' A' ' 35' ' ' VAL . . . 59.06 41.3 20.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.757 0.313 . . . . 0.0 111.069 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.764 ' C ' HD22 ' A' ' 63' ' ' LEU . 2.5 ttt -149.63 140.26 22.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.832 HD23 ' SG ' ' A' ' 30' ' ' CYS . 0.6 OUTLIER -122.92 161.22 24.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.909 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -152.34 107.31 3.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.932 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.503 HD22 ' CZ3' ' A' ' 41' ' ' TRP . 8.4 tp -110.8 110.88 21.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.944 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 83.4 t -98.18 120.49 47.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.102 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 42.5 t -115.68 123.35 70.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.157 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -102.75 167.95 9.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 44.1 m-20 58.48 43.95 18.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.46 ' O ' ' CG ' ' A' ' 71' ' ' ARG . 24.9 mt -51.58 174.87 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.46 ' CG ' ' O ' ' A' ' 70' ' ' LEU . 53.2 mtt85 -162.8 145.02 8.15 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.612 0.72 . . . . 0.0 110.889 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -3.1 11.36 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.613 2.209 . . . . 0.0 112.361 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 50.4 mm-40 -100.56 -23.41 14.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.412 ' O ' ' C ' ' A' ' 75' ' ' SER . 0.6 OUTLIER -68.4 -30.96 69.99 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 74' ' ' ASP . 65.7 m -37.53 99.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.836 -179.777 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -145.5 -137.29 3.09 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.466 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 52.2 ttp180 -128.01 113.67 16.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.777 0.322 . . . . 0.0 110.913 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -91.56 160.22 15.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.476 ' CB ' ' O ' ' A' ' 87' ' ' THR . 58.5 m -154.06 167.93 28.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.88 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 4.3 t -145.71 127.86 15.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.897 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 58.2 m -95.09 125.83 40.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.893 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.636 ' CZ ' ' HB3' ' A' ' 36' ' ' ALA . 11.6 t80 -164.13 135.54 4.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.865 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 49.28 42.06 32.3 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.471 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 62.45 26.27 15.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.801 0.334 . . . . 0.0 110.921 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -124.75 136.73 54.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 30.1 m -123.77 118.33 26.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.154 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.822 ' OG1' ' HB1' ' A' ' 14' ' ' ALA . 6.2 t -95.57 161.16 14.17 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.172 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 95.7 p -138.9 138.96 37.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.88 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.553 ' HB2' ' HB2' ' A' ' 15' ' ' LEU . . . -144.54 178.32 8.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 8.0 m -129.74 150.87 50.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.174 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 22.5 tp -135.14 109.51 8.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.942 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 30.3 m -91.47 121.66 33.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 99.8 t -119.79 114.93 45.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.1 m -82.25 132.88 35.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.124 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.19 132.95 44.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.061 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.5 HD12 ' OE2' ' A' ' 22' ' ' GLU . 47.0 mt -39.53 145.38 0.43 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.606 0.717 . . . . 0.0 110.91 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 172.36 12.8 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.692 2.261 . . . . 0.0 112.335 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 37.0 t -117.5 -40.69 3.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.822 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -163.6 -159.03 10.34 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.497 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.441 ' O ' ' C ' ' A' ' 101' ' ' SER . 53.9 Cg_endo -69.8 -39.65 6.18 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.676 2.25 . . . . 0.0 112.329 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.441 ' C ' ' O ' ' A' ' 100' ' ' PRO . 14.4 m -34.56 -61.35 0.39 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 1.4 t -91.36 104.43 16.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.871 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.473 -179.986 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.3 t 59.34 42.13 18.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.93 0.395 . . . . 0.0 110.886 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.0 t -92.63 -47.63 7.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.89 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.49 -114.4 3.56 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.485 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -83.37 155.47 23.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.841 0.353 . . . . 0.0 110.885 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.5 p -107.62 162.6 13.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 89.92 76.84 1.32 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.482 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 156.39 63.44 Favored 'Trans proline' 0 C--O 1.232 0.195 0 C-N-CA 122.709 2.273 . . . . 0.0 112.312 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.0 t -58.7 125.27 14.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.128 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 38.2 mtt-85 -109.17 178.57 4.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.865 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.405 ' HB3' ' HB2' ' A' ' 14' ' ' ALA . 11.4 m-85 -108.01 87.09 2.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.869 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 41.9 tt0 -65.3 -57.88 7.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.969 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -123.28 60.85 1.05 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.867 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.619 ' HB1' ' OG1' ' A' ' 87' ' ' THR . . . -51.68 -176.3 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.121 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 32.0 mt -69.14 157.68 36.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.3 ptmt -138.7 167.31 22.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.887 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -58.46 140.19 54.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.3 mt -124.0 146.9 48.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -126.38 111.87 14.98 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.1 t -143.55 153.94 16.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.161 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.804 HD12 ' HB ' ' A' ' 94' ' ' THR . 5.6 tp -91.03 134.51 34.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.502 ' C ' ' CD ' ' A' ' 22' ' ' GLU . 0.1 OUTLIER -45.21 165.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.914 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.88 18.17 79.53 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.529 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -132.97 -143.23 4.99 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.502 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.48 ' HB2' HH21 ' A' ' 68' ' ' ARG . . . -137.45 158.92 43.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.799 0.333 . . . . 0.0 111.122 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -124.93 119.21 28.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.124 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . 0.613 HG23 ' OE2' ' A' ' 64' ' ' GLU . 22.6 m -111.82 100.38 8.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.138 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.6 mp -84.1 153.69 23.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.914 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 18.2 mtm180 -138.94 144.22 38.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.905 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.3 p -162.66 124.91 2.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 43.5 t -103.87 129.29 56.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.148 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.413 ' O ' ' C ' ' A' ' 33' ' ' SER . 5.6 mt -88.89 134.82 33.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.955 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 32' ' ' LEU . 3.9 m -37.4 -39.76 0.32 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.813 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.2 m -133.22 172.4 12.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.866 -179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.732 HG22 ' HB2' ' A' ' 61' ' ' ALA . 37.4 t -91.98 110.67 23.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.156 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.463 ' HB3' ' CE2' ' A' ' 82' ' ' PHE . . . -140.25 145.63 37.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.115 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.865 ' HB1' ' HA ' ' A' ' 38' ' ' PRO . . . -170.4 166.98 4.81 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.553 0.692 . . . . 0.0 111.134 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.865 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 53.5 Cg_endo -69.74 169.75 61.76 Favored 'Cis proline' 0 C--N 1.341 0.173 0 C-N-CA 122.724 -1.782 . . . . 0.0 112.325 -0.014 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.54 HG13 ' CD1' ' A' ' 82' ' ' PHE . 21.8 t -113.18 160.82 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.141 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.505 ' N ' HG12 ' A' ' 39' ' ' VAL . 28.1 tptt -108.76 144.2 36.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.916 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 31.0 m95 -128.81 102.85 6.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.938 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 16.7 p -116.4 131.09 57.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.858 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.589 ' CD1' ' CD1' ' A' ' 78' ' ' TYR . 5.1 t80 -135.8 113.79 11.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 65.75 -93.37 0.18 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.461 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 37.3 t-20 -127.94 -59.74 1.18 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.861 0.362 . . . . 0.0 110.943 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -65.17 141.34 58.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 13.2 t -85.73 134.06 28.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 13.8 mt -80.58 122.61 27.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.881 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.9 mmm180 -125.57 152.96 72.65 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.553 0.692 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 129.53 17.8 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.67 2.247 . . . . 0.0 112.336 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -161.86 -129.04 0.99 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.485 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -98.42 -44.27 6.58 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.907 0.384 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.589 ' HE2' ' CE1' ' A' ' 54' ' ' TYR . 0.3 OUTLIER -69.36 -59.63 2.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.589 ' CE1' ' HE2' ' A' ' 53' ' ' LYS . 23.1 m-85 -86.54 162.04 18.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.0 t -141.08 115.28 9.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.882 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -102.24 124.75 48.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.911 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 40.1 mtp85 -134.68 128.08 32.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.866 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 14.6 tt0 -118.57 133.63 55.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -134.79 84.63 2.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 42.35 94.25 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.504 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.732 ' HB2' HG22 ' A' ' 35' ' ' VAL . . . 57.46 30.28 18.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.769 0.319 . . . . 0.0 111.091 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 2.6 ttp -135.7 143.42 45.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.935 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.44 HD21 HG21 ' A' ' 39' ' ' VAL . 5.6 mt -132.44 151.54 51.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.894 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.796 ' OE1' HG23 ' A' ' 66' ' ' VAL . 1.3 tm-20 -150.18 118.56 6.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.911 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.6 tp -113.39 119.56 38.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.919 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.796 HG23 ' OE1' ' A' ' 64' ' ' GLU . 97.9 t -102.78 130.1 53.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.127 179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 6.7 t -118.4 116.74 52.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.104 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.48 HH21 ' HB2' ' A' ' 25' ' ' ALA . 0.6 OUTLIER -93.4 158.53 15.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.8 m120 62.3 54.68 2.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 12.4 mt -56.43 149.24 17.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.88 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 21.3 mtt180 -155.59 147.45 17.19 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.615 0.721 . . . . 0.0 110.864 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 -4.49 14.19 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.653 2.235 . . . . 0.0 112.319 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 4.6 mm100 -98.09 -11.92 22.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.927 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.436 ' O ' ' C ' ' A' ' 75' ' ' SER . 21.8 t0 -82.94 -31.42 27.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 74' ' ' ASP . 69.4 m -35.34 103.06 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.894 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -136.5 -145.8 5.08 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.477 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.405 ' HB3' ' NH1' ' A' ' 77' ' ' ARG . 10.2 ttp-105 -119.54 100.5 7.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.822 0.344 . . . . 0.0 110.84 -179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.589 ' CD1' ' CD1' ' A' ' 43' ' ' TYR . 70.6 m-85 -91.24 106.57 18.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 33.6 p -122.4 134.69 54.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.853 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 3.2 t -102.26 115.49 30.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.933 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 7.2 t -83.0 124.9 30.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.54 ' CD1' HG13 ' A' ' 39' ' ' VAL . 1.6 t80 -158.25 123.9 4.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.843 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 64.58 -132.04 37.91 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.464 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -99.79 -23.38 15.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.814 0.34 . . . . 0.0 110.866 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -93.69 150.01 20.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 50.7 m -137.1 121.75 18.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.121 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.619 ' OG1' ' HB1' ' A' ' 14' ' ' ALA . 8.3 t -91.05 159.57 16.05 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.166 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.6 t -150.23 140.89 22.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.883 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -147.63 169.0 20.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.144 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 51.4 m -130.75 136.56 48.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.145 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.3 tp -102.75 130.91 49.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.92 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 88.2 m -96.94 125.85 41.67 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.111 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 58.7 t -123.26 111.5 29.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.137 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.804 ' HB ' HD12 ' A' ' 21' ' ' LEU . 29.5 m -83.11 130.94 35.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.109 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 96' ' ' LEU . . . -83.48 120.91 26.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.107 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.448 ' C ' ' O ' ' A' ' 95' ' ' ALA . 31.1 mt -34.68 150.19 0.08 OUTLIER Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.649 0.738 . . . . 0.0 110.866 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 127.7 14.97 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.688 2.259 . . . . 0.0 112.355 179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 33.8 t -79.65 124.64 28.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -143.67 150.05 22.03 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.491 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 101' ' ' SER . 53.5 Cg_endo -69.75 95.2 0.54 Allowed 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.728 2.285 . . . . 0.0 112.318 -179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 100' ' ' PRO . 3.2 t 37.83 46.05 0.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.89 -179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 22.8 t -88.28 -54.72 4.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.835 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.513 -179.978 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.1 m 54.14 42.28 31.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.883 0.373 . . . . 0.0 110.853 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.1 m -93.49 -46.53 7.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.842 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 132.78 -133.59 7.13 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.484 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.6 m -124.58 106.1 9.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.828 0.346 . . . . 0.0 110.864 -179.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.2 p -112.51 165.44 12.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.849 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.3 -172.66 37.65 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.481 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -179.2 2.74 Favored 'Trans proline' 0 C--O 1.232 0.175 0 C-N-CA 122.702 2.268 . . . . 0.0 112.338 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 37.6 t -60.54 134.69 25.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 67.3 mtt180 -113.89 177.49 4.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -108.9 79.3 1.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.7 tp60 -59.09 -50.74 72.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.906 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -133.31 68.03 1.51 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.66 -175.12 0.16 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.133 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.537 HD22 ' HB3' ' A' ' 28' ' ' LEU . 53.4 mt -54.79 168.33 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.949 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -149.27 174.07 12.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.864 179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -71.23 114.68 9.53 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.5 mp -106.45 156.19 18.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.951 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -137.25 113.42 9.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 6.2 t -132.02 154.86 40.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.091 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.536 HD12 ' HB ' ' A' ' 94' ' ' THR . 5.8 tp -93.56 145.84 24.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.933 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -58.63 120.04 8.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.889 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 123.85 31.92 0.91 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.473 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -155.76 -144.4 3.91 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.518 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -135.05 155.2 51.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 0.0 111.097 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -113.23 120.56 41.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.083 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.2 m -110.72 109.48 19.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.158 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.66 HD13 HD23 ' A' ' 65' ' ' LEU . 5.4 mp -89.95 121.97 32.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 71.0 mtm180 -112.97 151.84 30.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 23.9 p -169.98 131.1 1.01 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.89 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 95.1 t -106.28 122.84 60.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.15 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.67 HD11 HD21 ' A' ' 63' ' ' LEU . 4.8 mt -87.35 146.99 25.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.904 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 83.2 p -45.92 -41.49 11.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.844 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.5 m -130.81 159.56 36.98 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.849 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.646 ' HA ' ' HB2' ' A' ' 61' ' ' ALA . 25.4 t -80.0 99.43 3.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.151 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -132.3 147.89 52.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.08 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.865 ' HB1' ' HA ' ' A' ' 38' ' ' PRO . . . -171.29 166.99 4.11 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.625 0.726 . . . . 0.0 111.06 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.865 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 53.9 Cg_endo -69.72 177.76 27.65 Favored 'Cis proline' 0 C--N 1.342 0.205 0 C-N-CA 122.713 -1.786 . . . . 0.0 112.337 -0.047 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.51 HG11 ' CD1' ' A' ' 63' ' ' LEU . 2.0 p -114.98 146.88 18.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.117 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 15.1 tttt -104.15 118.83 37.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.908 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.437 ' CD1' ' CD2' ' A' ' 56' ' ' LEU . 71.1 m95 -93.17 159.87 15.1 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.8 m -150.46 119.82 6.87 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.914 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.667 ' HB3' HD11 ' A' ' 48' ' ' LEU . 11.9 t80 -147.29 107.99 4.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 40.79 -96.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.506 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.409 ' N ' ' O ' ' A' ' 43' ' ' TYR . 12.2 p30 -47.44 169.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.831 0.348 . . . . 0.0 110.923 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -46.94 169.55 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 14.8 p -44.23 142.14 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.121 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.667 HD11 ' HB3' ' A' ' 43' ' ' TYR . 51.5 mt -89.28 151.05 22.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.475 ' HB3' ' CZ ' ' A' ' 49' ' ' ARG . 12.2 mtp-105 -132.2 146.42 61.56 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.588 0.708 . . . . 0.0 110.898 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 147.14 62.14 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.719 2.279 . . . . 0.0 112.376 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -175.45 -132.34 1.58 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.46 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -91.3 -50.84 5.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.894 0.378 . . . . 0.0 110.883 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.6 tptt -58.34 -61.27 2.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.886 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 38.8 m-85 -89.31 173.45 8.38 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.943 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.0 m -152.43 112.55 4.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.437 ' CD2' ' CD1' ' A' ' 41' ' ' TRP . 5.5 mp -111.36 134.11 53.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.873 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -140.9 145.05 35.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 36.2 tp60 -125.55 132.64 52.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 60' ' ' GLY . 3.8 tm-20 -160.11 133.53 6.93 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.822 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 59' ' ' GLU . . . 34.35 62.45 0.5 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.502 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.646 ' HB2' ' HA ' ' A' ' 35' ' ' VAL . . . 47.8 47.88 17.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.816 0.341 . . . . 0.0 111.096 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -143.6 127.08 16.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.67 HD21 HD11 ' A' ' 32' ' ' LEU . 2.3 mm? -104.9 160.71 14.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.906 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -152.39 115.52 4.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.66 HD23 HD13 ' A' ' 28' ' ' LEU . 13.6 tp -115.98 119.04 34.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 69.2 t -102.21 147.41 8.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.134 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 65.2 t -136.31 106.49 5.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.089 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 20.3 mmm-85 -84.7 161.13 20.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 54.04 53.67 10.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 34.9 mt -55.63 -177.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.945 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.9 ptp180 -171.68 150.62 2.66 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.61 0.719 . . . . 0.0 110.888 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -2.93 10.98 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.651 2.234 . . . . 0.0 112.368 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -114.19 34.45 4.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.903 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -118.88 -21.91 7.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 44.8 m -56.9 99.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.88 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -130.06 -131.19 3.31 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.484 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 31.5 ttp180 -128.45 100.77 5.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.846 0.355 . . . . 0.0 110.889 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -89.09 138.58 31.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 9.7 t -141.91 150.06 41.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.818 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.3 t -127.23 113.59 16.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.9 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.9 t -84.01 129.24 34.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.413 ' HD1' HG23 ' A' ' 39' ' ' VAL . 4.7 t80 -153.28 120.13 5.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.846 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 52.93 -112.98 2.48 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.539 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -119.05 35.8 4.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.756 0.312 . . . . 0.0 110.874 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 22.4 mm-40 -135.65 150.03 49.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.946 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 24.6 m -141.99 117.08 10.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.131 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 4.8 t -106.88 152.18 24.25 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.167 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 52.4 p -140.25 140.19 35.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.843 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -141.75 174.57 10.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.089 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 33.9 m -133.33 141.42 47.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.133 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 54.2 tp -109.46 149.81 29.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.922 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 54.7 m -119.81 128.12 53.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.139 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 61.6 t -130.91 117.41 37.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.159 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.536 ' HB ' HD12 ' A' ' 21' ' ' LEU . 27.6 m -85.73 134.34 33.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.132 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.37 110.05 5.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.114 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.669 ' C ' HD12 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -52.75 145.4 21.96 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.609 0.719 . . . . 0.0 110.923 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.522 ' N ' HD12 ' A' ' 96' ' ' LEU . 53.6 Cg_endo -69.77 85.97 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.713 2.275 . . . . 0.0 112.295 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.424 ' C ' ' HD2' ' A' ' 100' ' ' PRO . 1.9 t -96.08 146.97 24.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.832 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 127.48 -65.05 0.58 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.514 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.424 ' HD2' ' C ' ' A' ' 98' ' ' SER . 54.0 Cg_endo -69.75 131.13 20.6 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.708 2.272 . . . . 0.0 112.332 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.2 m -90.15 -44.02 10.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.849 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 13.0 m -108.33 108.25 19.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.886 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.506 179.994 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 m -123.58 -51.61 1.83 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.856 0.36 . . . . 0.0 110.814 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -77.52 100.19 5.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.97 135.26 12.33 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.485 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.1 t -116.88 -57.15 2.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.91 0.386 . . . . 0.0 110.864 -179.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.4 m -101.59 116.11 32.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.857 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 123.61 84.5 0.65 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.476 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 176.25 7.01 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.646 2.231 . . . . 0.0 112.356 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 92.8 t -116.68 136.11 54.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 79.1 mtt180 -100.8 150.0 23.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.898 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.696 ' HB3' ' HB2' ' A' ' 14' ' ' ALA . 11.0 m-85 -82.8 75.55 9.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.854 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 3.9 tp-100 -49.66 -50.37 43.58 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -131.55 65.41 1.57 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.827 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.696 ' HB2' ' HB3' ' A' ' 11' ' ' PHE . . . -59.21 -175.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.102 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.606 HD22 ' HB3' ' A' ' 28' ' ' LEU . 8.6 mt -63.82 -175.84 0.16 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -164.77 159.17 18.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.914 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -53.26 147.44 10.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.867 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.418 HD11 ' HG ' ' A' ' 28' ' ' LEU . 4.6 mt -135.87 138.75 42.79 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.915 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -112.67 115.82 29.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.499 ' CG1' HD11 ' A' ' 91' ' ' LEU . 1.0 OUTLIER -145.04 147.25 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.155 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.663 HD12 ' HB ' ' A' ' 94' ' ' THR . 9.4 tp -86.84 144.73 26.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.949 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -52.29 147.06 8.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.845 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 91.48 35.54 6.9 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.504 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -152.67 -147.19 4.54 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.508 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -139.57 156.53 46.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.786 0.327 . . . . 0.0 111.082 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -119.07 134.0 55.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.083 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 5.1 m -115.47 113.47 23.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.108 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.606 ' HB3' HD22 ' A' ' 15' ' ' LEU . 5.5 mp -96.97 134.61 40.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 7.8 mmm-85 -127.56 138.41 52.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.677 ' O ' HD23 ' A' ' 63' ' ' LEU . 29.5 p -156.03 125.4 6.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.475 HG13 ' O ' ' A' ' 61' ' ' ALA . 54.7 t -109.62 129.98 63.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.708 ' H ' HD22 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -93.4 170.97 9.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.8 t -58.44 -28.9 65.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.889 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.3 t -156.74 147.79 22.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.855 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.566 HG23 ' H ' ' A' ' 61' ' ' ALA . 7.0 p -65.29 108.14 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.165 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.61 ' HB3' ' CE1' ' A' ' 82' ' ' PHE . . . -128.08 106.66 9.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.081 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.865 ' HB1' ' HA ' ' A' ' 38' ' ' PRO . . . -125.26 167.0 17.55 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.607 0.717 . . . . 0.0 111.098 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.865 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 53.6 Cg_endo -69.74 170.59 57.61 Favored 'Cis proline' 0 C--N 1.342 0.214 0 C-N-CA 122.667 -1.805 . . . . 0.0 112.37 -0.037 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.575 HG13 ' CD2' ' A' ' 82' ' ' PHE . 2.6 t -110.5 154.69 12.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.15 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.55 115.51 27.32 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 38.9 m95 -99.03 148.79 23.66 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.925 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.3 p -158.78 131.95 7.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.869 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.765 ' CE1' ' CE2' ' A' ' 78' ' ' TYR . 1.8 t80 -138.43 105.92 5.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.895 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 83.68 -107.84 2.99 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.529 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -115.33 -54.09 2.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.843 0.354 . . . . 0.0 110.833 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.6 m120 -70.92 157.38 38.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 42.1 t -91.75 141.05 15.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.534 HD11 ' CB ' ' A' ' 43' ' ' TYR . 15.9 mt -86.37 122.77 30.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.869 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 80.5 mtm180 -117.41 149.19 44.27 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.595 0.712 . . . . 0.0 110.929 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.593 ' HD3' HD12 ' A' ' 56' ' ' LEU . 53.5 Cg_endo -69.84 143.33 50.09 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.691 2.261 . . . . 0.0 112.296 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 169.28 -141.95 7.02 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.492 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -84.15 -48.86 9.4 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.919 0.39 . . . . 0.0 110.878 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 35.8 tptt -64.74 -45.5 86.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 93.4 m-85 -119.73 150.33 40.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.97 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 13.9 t -125.62 134.65 51.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.593 HD12 ' HD3' ' A' ' 50' ' ' PRO . 70.0 mt -132.93 109.44 9.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -128.2 135.34 49.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.765 HE22 ' HB2' ' A' ' 37' ' ' ALA . 14.5 tt0 -116.43 145.78 43.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.897 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.498 ' O ' ' CB ' ' A' ' 62' ' ' MET . 6.6 mm-40 -151.09 105.3 3.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.903 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 59' ' ' GLU . . . 34.35 75.58 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.511 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.566 ' H ' HG23 ' A' ' 35' ' ' VAL . . . 59.97 41.75 17.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.764 0.316 . . . . 0.0 111.12 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.498 ' CB ' ' O ' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -130.77 129.87 43.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.879 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.695 HD21 HD21 ' A' ' 32' ' ' LEU . 3.1 mm? -111.24 148.94 31.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.482 ' OE1' HG23 ' A' ' 66' ' ' VAL . 0.0 OUTLIER -156.27 112.04 2.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.877 179.928 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.3 tp -123.07 122.21 37.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.904 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.482 HG23 ' OE1' ' A' ' 64' ' ' GLU . 52.6 t -107.69 122.14 61.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.139 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 31.2 t -113.82 104.42 16.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 26.2 mtt-85 -77.85 168.21 20.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 15.5 m120 58.5 54.23 5.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.884 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 12.5 mt -62.06 125.37 23.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.926 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 22.7 mmt85 -122.51 154.15 62.78 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.619 0.723 . . . . 0.0 110.871 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 0.23 5.95 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.675 2.25 . . . . 0.0 112.333 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -101.73 -24.67 14.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.5 -36.14 82.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.894 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.6 m -43.22 98.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.834 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -144.12 -140.97 3.7 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.556 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 24.8 ttm-85 -117.77 100.91 7.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.844 0.354 . . . . 0.0 110.843 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.765 ' CE2' ' CE1' ' A' ' 43' ' ' TYR . 51.1 m-85 -91.66 131.43 37.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.93 -179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 95.0 p -136.96 149.3 47.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.858 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 4.0 t -128.22 130.15 47.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.849 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 50.3 m -83.51 122.81 29.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.848 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.61 ' CE1' ' HB3' ' A' ' 36' ' ' ALA . 5.3 t80 -145.02 122.1 11.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.881 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 60.56 -103.52 0.51 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.463 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -123.7 -34.19 3.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.767 0.318 . . . . 0.0 110.868 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -84.32 158.53 21.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.878 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 85.9 m -129.9 136.26 49.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.152 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.461 ' OG1' ' HB1' ' A' ' 14' ' ' ALA . 9.7 t -96.19 161.6 13.88 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.138 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.4 t -155.26 134.0 12.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -145.42 174.61 10.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.098 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 62.9 m -132.4 145.66 51.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.15 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.652 HD12 ' H ' ' A' ' 92' ' ' THR . 20.7 tp -111.99 146.25 38.2 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.652 ' H ' HD12 ' A' ' 91' ' ' LEU . 70.9 m -114.89 120.91 41.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.165 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 60.9 t -128.76 114.47 33.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.138 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.663 ' HB ' HD12 ' A' ' 21' ' ' LEU . 58.7 m -93.34 136.33 33.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.158 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.82 121.7 20.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.073 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 8.7 mt -47.47 149.55 1.96 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.625 0.726 . . . . 0.0 110.93 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 144.96 56.01 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.667 2.245 . . . . 0.0 112.335 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.2 m -93.1 -44.34 8.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.864 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -101.21 -93.53 2.18 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.499 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 122.81 9.51 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.69 2.26 . . . . 0.0 112.396 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 3.2 m -90.38 171.9 9.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.86 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 57.8 p -167.72 169.99 11.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.867 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.446 179.97 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.7 t -46.91 121.77 3.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.892 0.377 . . . . 0.0 110.896 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.4 m -127.23 -46.83 1.48 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.831 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.06 63.37 0.44 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.519 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.7 t -76.6 137.7 39.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.943 0.401 . . . . 0.0 110.832 -179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.6 m -93.76 -58.06 2.38 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.848 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.11 146.59 8.42 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.454 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 170.18 17.19 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.668 2.245 . . . . 0.0 112.315 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.508 HG13 ' HB3' ' A' ' 33' ' ' SER . 6.2 t -137.46 121.58 22.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.123 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 61.0 mtm-85 -93.43 173.32 7.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.634 ' HB3' ' HB2' ' A' ' 14' ' ' ALA . 8.0 m-85 -95.38 92.96 6.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.872 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -59.96 -56.46 21.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.927 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -128.13 56.1 1.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.848 ' HB1' ' OG1' ' A' ' 87' ' ' THR . . . -43.85 168.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.119 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.925 HD22 HD23 ' A' ' 28' ' ' LEU . 12.0 mt -45.45 152.63 0.29 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.926 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 19.3 mtpt -136.48 179.93 6.06 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -72.43 135.57 45.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.835 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.8 mt -127.68 152.63 47.46 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -132.73 118.62 19.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 1.5 t -138.16 153.83 27.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.17 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.581 HD13 ' N ' ' A' ' 22' ' ' GLU . 0.2 OUTLIER -80.62 129.81 34.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.912 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.581 ' N ' HD13 ' A' ' 21' ' ' LEU . 11.7 tt0 -46.82 157.59 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.878 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.41 ' N ' ' CG ' ' A' ' 22' ' ' GLU . . . 80.05 27.62 52.37 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.512 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -143.42 -142.48 3.97 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.472 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -133.95 153.96 51.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.795 0.331 . . . . 0.0 111.098 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -110.79 111.56 22.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.085 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 31.7 m -93.16 99.5 12.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.138 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.925 HD23 HD22 ' A' ' 15' ' ' LEU . 4.7 mp -83.69 146.0 28.46 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.934 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 60.1 mtt180 -140.73 152.83 45.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -166.14 126.74 1.74 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.886 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 48.6 t -103.16 138.13 28.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.096 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.43 HD23 ' CE2' ' A' ' 82' ' ' PHE . 4.3 mp -108.38 -177.86 3.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.508 ' HB3' HG13 ' A' ' 9' ' ' VAL . 7.9 t -67.38 -27.62 67.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.839 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 18.8 m -159.63 179.52 8.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.859 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 16.7 t -77.8 104.5 5.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.141 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.433 ' CB ' ' CZ ' ' A' ' 82' ' ' PHE . . . -126.62 136.08 52.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.114 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.879 ' HB1' ' HA ' ' A' ' 38' ' ' PRO . . . -174.74 166.96 2.12 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.501 0.667 . . . . 0.0 111.121 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.879 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 54.4 Cg_endo -69.75 166.94 72.75 Favored 'Cis proline' 0 C--O 1.231 0.157 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.399 -0.041 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.568 HG21 HD21 ' A' ' 63' ' ' LEU . 3.2 t -116.93 146.66 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.152 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 34.7 tttp -112.81 133.75 54.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.452 ' HB3' HD12 ' A' ' 48' ' ' LEU . 17.8 m95 -107.12 161.22 14.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.887 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 71.7 m -142.58 121.13 12.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.706 ' HB2' HD11 ' A' ' 48' ' ' LEU . 27.5 t80 -139.13 126.48 21.52 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.922 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 57.19 -102.86 0.24 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.474 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 7.2 m-80 -126.84 -62.86 1.1 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.837 0.351 . . . . 0.0 110.858 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -62.55 99.9 0.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 39.2 t -41.22 138.66 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.082 179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.706 HD11 ' HB2' ' A' ' 43' ' ' TYR . 31.0 mt -76.97 125.21 28.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.922 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.467 ' CZ ' ' HB2' ' A' ' 49' ' ' ARG . 22.6 mtm105 -136.36 153.8 76.59 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.642 0.734 . . . . 0.0 110.87 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 134.51 28.22 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.709 2.273 . . . . 0.0 112.336 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -166.07 -112.68 0.27 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.515 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -112.77 -42.47 3.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.863 0.363 . . . . 0.0 110.862 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.56 -55.41 24.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.455 ' CE1' HG13 ' A' ' 67' ' ' VAL . 2.6 m-85 -110.87 168.04 9.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.922 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.8 t -139.07 117.71 12.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.882 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.432 ' CD2' ' N ' ' A' ' 56' ' ' LEU . 0.7 OUTLIER -93.94 117.34 29.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.938 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.5 ptm180 -143.3 130.57 20.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -108.09 146.51 32.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.925 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -134.95 83.89 2.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.938 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 55.07 98.45 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.509 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 41.42 47.35 3.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.745 0.307 . . . . 0.0 111.096 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 2.6 tmm? -159.4 123.63 3.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.869 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.568 HD21 HG21 ' A' ' 39' ' ' VAL . 2.3 mm? -97.58 152.44 19.04 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.903 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -141.17 128.23 20.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.869 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.425 HD22 ' CE3' ' A' ' 41' ' ' TRP . 15.9 tp -125.07 113.16 17.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.916 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 89.8 t -94.95 133.24 36.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.174 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.455 HG13 ' CE1' ' A' ' 54' ' ' TYR . 75.5 t -130.96 108.7 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -86.81 176.09 7.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 44.3 m-20 54.92 44.94 27.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 11.9 mt -56.77 151.26 14.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.924 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 74.6 mtt180 -136.56 148.67 64.72 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.546 0.689 . . . . 0.0 110.938 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -8.71 24.31 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.652 2.235 . . . . 0.0 112.356 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -106.25 -26.88 11.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.915 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -59.01 -33.05 70.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 50.5 p -46.69 117.01 1.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.862 -179.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -154.56 -125.34 0.98 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.537 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 58.9 ttp85 -129.64 119.07 22.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.786 0.327 . . . . 0.0 110.897 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -102.41 142.95 32.79 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.942 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 38.1 m -126.16 164.98 19.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.876 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 51.3 t -149.46 126.46 11.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.926 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.3 t -100.4 129.29 46.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.869 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.479 ' O ' ' N ' ' A' ' 85' ' ' GLN . 18.6 t80 -164.23 141.68 6.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 82' ' ' PHE . . . 35.74 50.34 1.08 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.446 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 57.67 39.69 27.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.735 0.302 . . . . 0.0 110.871 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.479 ' N ' ' O ' ' A' ' 82' ' ' PHE . 4.4 mm-40 -130.14 156.41 44.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.947 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 27.9 m -143.57 105.0 4.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.175 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.848 ' OG1' ' HB1' ' A' ' 14' ' ' ALA . 5.1 t -99.61 132.86 44.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.11 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -116.51 139.55 50.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.839 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -142.33 176.16 9.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.119 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.432 HG22 ' N ' ' A' ' 91' ' ' LEU . 19.5 m -126.63 156.74 40.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.192 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.432 ' N ' HG22 ' A' ' 90' ' ' THR . 60.6 tp -133.24 135.68 45.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.916 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 89.6 m -110.72 131.56 54.94 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.12 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 65.6 t -130.4 109.33 17.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 56.8 m -83.66 131.93 34.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.187 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.38 119.0 12.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.688 ' C ' HD12 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -65.68 145.64 99.03 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.572 0.701 . . . . 0.0 110.923 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.537 ' N ' HD12 ' A' ' 96' ' ' LEU . 53.5 Cg_endo -69.8 107.47 1.87 Allowed 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.717 2.278 . . . . 0.0 112.342 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 25.1 p -69.82 177.65 2.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -161.62 150.04 19.21 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.518 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 104.76 1.36 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.676 2.251 . . . . 0.0 112.388 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 38.3 m -125.92 -59.42 1.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.846 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 32.8 t -74.4 110.64 8.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.847 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.505 179.986 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.2 p -110.92 116.71 31.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.891 0.377 . . . . 0.0 110.854 -179.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.1 m 56.18 41.6 29.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.842 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.69 101.6 0.19 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.516 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.2 m -68.73 -51.3 42.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.899 0.38 . . . . 0.0 110.908 -179.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.5 p -129.28 102.61 6.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.884 -179.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 78.21 146.19 2.87 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.496 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 161.06 47.37 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.671 2.247 . . . . 0.0 112.375 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 90.3 t -75.3 122.36 28.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.3 mmm180 -100.66 169.44 9.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.522 ' HB3' ' HB2' ' A' ' 14' ' ' ALA . 11.2 m-85 -100.53 79.34 2.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.89 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 43.7 tp60 -54.34 -59.94 4.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.872 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -125.01 65.83 1.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.522 ' HB2' ' HB3' ' A' ' 11' ' ' PHE . . . -60.21 178.32 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.109 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 24.2 mt -47.68 168.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.941 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.449 ' O ' HD23 ' A' ' 18' ' ' LEU . 8.1 mtmp? -154.19 147.02 24.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.445 ' C ' ' O ' ' A' ' 16' ' ' LYS . 1.5 p-10 -35.12 138.17 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.854 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.909 HD12 HD13 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -145.78 145.42 30.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -135.74 133.52 38.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 66.4 t -146.29 151.72 14.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.168 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.718 HD12 ' HB ' ' A' ' 94' ' ' THR . 4.8 tp -77.95 135.59 37.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -51.44 154.43 1.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.88 -44.49 1.71 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.436 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -80.8 -143.2 3.44 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.488 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.785 ' HB2' ' HD3' ' A' ' 68' ' ' ARG . . . -135.83 160.84 37.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.825 0.345 . . . . 0.0 111.078 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -114.61 136.06 53.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.075 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 42.2 m -117.59 121.8 41.9 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.147 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.434 ' N ' HD12 ' A' ' 28' ' ' LEU . 5.4 mp -105.91 130.71 53.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.918 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 55.6 mtt180 -123.12 145.56 48.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 24.7 p -171.05 133.7 0.9 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.817 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.448 HG13 ' O ' ' A' ' 61' ' ' ALA . 92.8 t -106.17 131.03 56.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.134 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.422 HD11 HD21 ' A' ' 63' ' ' LEU . 8.5 mt -90.69 150.17 21.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.885 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.2 m -40.78 -46.59 2.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.85 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.4 m -142.92 173.17 11.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.594 HG22 ' HB2' ' A' ' 61' ' ' ALA . 15.1 t -87.15 106.67 16.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.122 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -129.91 19.74 5.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.08 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.852 ' HB1' ' HA ' ' A' ' 38' ' ' PRO . . . -59.55 166.98 2.71 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.573 0.701 . . . . 0.0 111.09 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.852 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 54.0 Cg_endo -69.77 179.69 21.62 Favored 'Cis proline' 0 C--N 1.342 0.201 0 C-N-CA 122.641 -1.816 . . . . 0.0 112.356 0.006 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.807 HG12 ' CE1' ' A' ' 82' ' ' PHE . 35.2 m -122.11 176.12 4.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.16 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 14.7 tttm -126.24 115.51 19.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 56.4 m95 -89.77 161.64 15.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.959 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 26.7 p -154.49 132.87 11.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.402 ' CD1' ' C ' ' A' ' 43' ' ' TYR . 1.0 OUTLIER -149.27 133.19 17.07 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.789 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 39.86 36.1 0.74 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.539 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 68.06 52.49 0.68 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.828 0.347 . . . . 0.0 110.925 -179.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 70.6 m-80 -151.97 161.17 43.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 48.9 t -100.96 122.7 53.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.147 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.1 mt -95.06 119.36 33.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.945 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -121.65 153.33 59.62 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.605 0.716 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 141.92 46.26 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.646 2.231 . . . . 0.0 112.327 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 176.32 -121.76 0.82 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.526 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -96.91 -60.77 1.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.881 0.372 . . . . 0.0 110.891 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.0 tptt -63.07 -45.0 94.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.901 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 51.5 m-85 -115.73 161.16 19.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.639 ' C ' HD12 ' A' ' 56' ' ' LEU . 1.8 m -143.67 138.27 28.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.878 -179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.639 HD12 ' C ' ' A' ' 55' ' ' SER . 6.6 mp -140.86 126.83 19.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 25.8 tpt180 -136.68 131.42 33.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.874 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -101.39 129.69 47.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.908 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -128.97 81.42 2.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 43.17 88.01 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.481 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.594 ' HB2' HG22 ' A' ' 35' ' ' VAL . . . 56.72 43.03 25.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.771 0.32 . . . . 0.0 111.118 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.42 ' C ' HD22 ' A' ' 63' ' ' LEU . 2.8 ttt -147.66 138.06 23.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.899 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.502 ' N ' HD22 ' A' ' 63' ' ' LEU . 2.9 mm? -117.37 155.82 28.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -156.84 108.82 2.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 7.1 tp -112.32 128.99 56.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 90.6 t -114.91 120.47 64.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.111 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.6 t -114.88 114.76 47.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.135 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.785 ' HD3' ' HB2' ' A' ' 25' ' ' ALA . 24.9 mmt85 -88.31 172.42 9.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 62.1 t30 58.22 53.88 6.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 19.2 mt -59.52 146.96 38.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.931 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.473 ' HB3' ' NE2' ' A' ' 73' ' ' GLN . 23.7 mmm-85 -146.28 144.39 21.19 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.604 0.716 . . . . 0.0 110.845 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -4.68 14.52 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.691 2.261 . . . . 0.0 112.306 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.473 ' NE2' ' HB3' ' A' ' 71' ' ' ARG . 2.2 pm0 -105.93 2.95 27.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.953 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -90.96 -30.77 16.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.926 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 67.5 m -39.14 100.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.851 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -133.9 -140.15 4.28 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.466 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 56.7 ttt180 -119.48 100.73 7.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.762 0.315 . . . . 0.0 110.88 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -93.78 106.29 18.27 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 27.0 p -114.15 156.94 23.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.8 t -127.65 118.36 23.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.91 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 19.7 m -88.13 123.02 32.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.807 ' CE1' HG12 ' A' ' 39' ' ' VAL . 3.6 t80 -154.54 110.7 3.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 73.88 -122.31 7.55 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.485 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.65 -39.63 6.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.748 0.309 . . . . 0.0 110.864 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 91.8 mm-40 -81.85 160.19 23.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 89.8 m -143.86 129.2 18.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.437 ' OG1' ' HB1' ' A' ' 14' ' ' ALA . 6.3 t -94.77 156.31 16.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 95.6 p -153.86 122.11 6.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.85 -179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -127.28 169.04 13.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.129 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 60.9 m -128.57 138.25 52.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.136 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.909 HD13 HD12 ' A' ' 18' ' ' LEU . 18.3 tp -108.37 131.5 54.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.891 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 59.3 m -100.23 112.54 24.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.152 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 92.9 t -101.08 122.61 53.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.118 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.718 ' HB ' HD12 ' A' ' 21' ' ' LEU . 6.2 m -92.52 125.27 37.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.159 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.09 121.48 19.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.1 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.65 ' C ' HD12 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -62.19 145.64 93.43 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.585 0.707 . . . . 0.0 110.927 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.513 ' N ' HD12 ' A' ' 96' ' ' LEU . 53.6 Cg_endo -69.77 94.64 0.53 Allowed 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.682 2.255 . . . . 0.0 112.347 179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.4 t -108.56 115.64 30.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.828 -179.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -111.03 146.27 17.64 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.467 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 113.18 3.29 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.684 2.256 . . . . 0.0 112.35 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 98.7 p -122.36 79.62 1.63 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 89.9 p -62.17 156.8 20.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.495 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 73.3 m -53.35 120.16 5.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.935 0.398 . . . . 0.0 110.806 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 t -154.37 130.98 10.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.824 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.11 -177.07 20.97 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.509 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.8 p -113.64 87.51 2.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.891 0.377 . . . . 0.0 110.873 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 37.3 m -52.72 -39.77 62.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.836 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.66 179.72 27.9 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.482 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 172.67 12.21 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.722 2.282 . . . . 0.0 112.32 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.934 HG11 ' HB2' ' A' ' 36' ' ' ALA . 8.9 m -79.26 46.19 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 29.1 mtp180 -47.78 172.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.85 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.799 ' HB3' ' HB2' ' A' ' 14' ' ' ALA . 10.2 m-85 -88.87 71.02 8.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.847 -179.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -45.89 -52.8 10.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -128.62 60.15 1.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.913 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.799 ' HB2' ' HB3' ' A' ' 11' ' ' PHE . . . -52.18 171.11 0.05 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.121 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.586 HD22 HD23 ' A' ' 28' ' ' LEU . 12.9 mt -54.49 159.39 2.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.9 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.3 pttt -141.65 160.41 40.22 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -49.7 116.09 1.64 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 80.0 mt -103.33 163.88 11.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.409 ' O ' ' CG2' ' A' ' 20' ' ' VAL . 0.5 OUTLIER -135.16 142.34 46.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.879 179.909 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.559 HG11 ' CD1' ' A' ' 70' ' ' LEU . 94.4 t -157.76 160.13 2.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.114 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.705 HD12 ' HB ' ' A' ' 94' ' ' THR . 5.4 tp -111.16 133.74 53.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -40.85 124.43 2.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 108.87 21.65 7.36 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.528 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -139.43 -145.91 4.81 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.461 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -142.49 157.27 44.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.813 0.34 . . . . 0.0 111.101 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -112.88 118.07 33.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 23.2 m -102.32 108.89 20.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.122 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.586 HD23 HD22 ' A' ' 15' ' ' LEU . 5.1 mp -90.98 105.13 17.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.958 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -115.13 123.3 48.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.901 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 20.6 p -139.0 144.14 38.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 76.2 t -109.52 134.07 52.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.127 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 1.029 HD13 ' CE2' ' A' ' 82' ' ' PHE . 9.2 mt -100.79 160.05 14.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.912 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 45.0 t -65.3 -14.68 61.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.813 ' HB2' HG12 ' A' ' 9' ' ' VAL . 5.3 m -173.44 140.39 0.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.864 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.445 HG13 ' O ' ' A' ' 35' ' ' VAL . 2.8 p -66.61 106.58 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.934 ' HB2' HG11 ' A' ' 9' ' ' VAL . . . -115.67 20.09 14.87 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.096 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.883 ' HB1' ' HA ' ' A' ' 38' ' ' PRO . . . -45.05 167.04 0.12 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.538 0.685 . . . . 0.0 111.097 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.883 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 54.3 Cg_endo -69.73 174.24 41.26 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.672 -1.803 . . . . 0.0 112.375 -0.043 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.982 HG21 HD11 ' A' ' 63' ' ' LEU . 3.2 t -112.02 160.9 11.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.116 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.408 ' N ' HG12 ' A' ' 39' ' ' VAL . 22.4 tttt -128.68 104.33 7.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.429 ' CE3' HD22 ' A' ' 65' ' ' LEU . 45.4 m95 -86.98 117.15 25.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.913 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 19.2 m -116.55 118.79 33.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.781 ' HB3' HD11 ' A' ' 48' ' ' LEU . 44.5 t80 -142.68 110.47 5.86 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 43.44 -97.09 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.515 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -51.61 -179.37 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.828 0.347 . . . . 0.0 110.928 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 27.3 p30 -53.06 171.13 0.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.914 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 20.3 t -42.34 134.39 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.133 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.781 HD11 ' HB3' ' A' ' 43' ' ' TYR . 96.1 mt -77.17 108.97 10.65 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 48.9 mtt180 -98.73 149.03 35.35 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.552 0.691 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.451 ' HB3' HD23 ' A' ' 56' ' ' LEU . 53.5 Cg_endo -69.77 157.07 61.64 Favored 'Trans proline' 0 C--N 1.341 0.132 0 C-N-CA 122.681 2.254 . . . . 0.0 112.329 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 173.25 -137.09 3.95 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.468 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -94.35 -2.93 51.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.869 0.366 . . . . 0.0 110.846 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.87 -55.25 2.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 84.8 m-85 -96.32 152.72 18.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.95 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 45.2 t -124.84 102.33 7.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.889 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.516 HD22 ' N ' ' A' ' 56' ' ' LEU . 3.1 mm? -97.49 110.55 23.09 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.5 ttt85 -130.31 113.5 14.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.424 HE21 ' HB2' ' A' ' 37' ' ' ALA . 1.4 tm0? -108.03 135.53 49.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.955 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -134.17 79.92 1.83 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.901 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.42 ' N ' ' OE1' ' A' ' 58' ' ' GLN . . . 38.24 92.13 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.496 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . 65.15 35.1 8.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.83 0.348 . . . . 0.0 111.124 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 3.2 tmm? -142.93 122.39 13.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.982 HD11 HG21 ' A' ' 39' ' ' VAL . 2.9 mm? -102.69 151.3 22.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.968 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.7 tt0 -156.37 108.78 2.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.429 HD22 ' CE3' ' A' ' 41' ' ' TRP . 7.4 tp -126.81 110.29 12.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 20.6 t -96.43 140.28 17.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.145 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 40.0 t -131.01 106.01 11.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.154 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 76.3 mtt180 -85.91 171.26 11.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 57.11 53.97 7.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.559 ' CD1' HG11 ' A' ' 20' ' ' VAL . 10.9 mt -65.76 173.84 2.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.938 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -174.33 147.43 1.2 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.603 0.716 . . . . 0.0 110.877 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.67 -6.38 18.42 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.72 2.28 . . . . 0.0 112.4 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -86.38 -17.92 33.19 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.918 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 75' ' ' SER . 10.8 m-20 -90.28 -3.16 57.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 74' ' ' ASP . 40.4 m -36.71 106.98 0.05 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.868 -179.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -167.15 -173.81 35.73 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.477 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.82 139.6 49.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.84 0.352 . . . . 0.0 110.836 -179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -105.18 127.46 52.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.932 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 37.3 t -112.11 136.07 51.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.874 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 40.4 t -115.7 121.55 42.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 66.6 p -85.87 140.94 29.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.846 -179.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 1.029 ' CE2' HD13 ' A' ' 32' ' ' LEU . 2.1 t80 -164.44 107.26 0.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.9 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 71.94 -106.36 1.9 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.524 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -121.44 -28.39 4.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.766 0.317 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 9.4 mm100 -89.68 154.6 19.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.943 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 27.8 m -142.84 147.11 34.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.205 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.543 ' CB ' ' HB1' ' A' ' 14' ' ' ALA . 11.3 t -128.9 145.86 51.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.149 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 48.0 p -137.53 142.15 41.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -138.19 142.82 40.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.07 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 26.5 m -85.54 146.55 26.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.131 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 23.8 tp -107.32 127.0 53.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 39.0 m -97.95 115.09 27.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.187 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 55.8 t -117.19 108.7 25.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.118 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.705 ' HB ' HD12 ' A' ' 21' ' ' LEU . 16.5 m -81.86 141.76 33.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.185 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -83.04 112.9 20.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.132 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.669 ' C ' HD12 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -51.99 145.6 17.15 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.6 0.714 . . . . 0.0 110.914 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.531 ' N ' HD12 ' A' ' 96' ' ' LEU . 53.3 Cg_endo -69.83 105.39 1.49 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.658 2.239 . . . . 0.0 112.311 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 50.3 m -94.17 -45.09 7.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -49.38 146.19 7.14 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.513 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 101' ' ' SER . 53.8 Cg_endo -69.74 -6.37 18.43 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.71 2.274 . . . . 0.0 112.354 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 100' ' ' PRO . 8.1 t -34.55 121.37 0.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.857 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 28.2 t -112.46 -176.04 2.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.48 -179.983 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.383 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.1 t -68.86 167.52 15.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.882 0.372 . . . . 0.0 110.897 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.1 m 36.97 50.4 0.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.826 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.26 109.45 0.4 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.476 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.9 t -44.05 126.5 4.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.877 0.37 . . . . 0.0 110.83 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.2 p -88.25 113.78 24.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.815 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.47 170.71 18.62 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.47 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 150.89 68.65 Favored 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.691 2.261 . . . . 0.0 112.338 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.424 ' CG1' ' HB3' ' A' ' 32' ' ' LEU . 85.1 t -77.1 112.45 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.132 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 17.3 mmm180 -78.34 133.62 37.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.462 ' HB3' ' HB2' ' A' ' 14' ' ' ALA . 10.4 m-85 -73.83 90.29 1.89 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.928 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 55.2 tp60 -63.17 -50.83 68.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.887 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -131.61 65.99 1.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.572 ' HB1' ' OG1' ' A' ' 87' ' ' THR . . . -58.47 171.48 0.6 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.11 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 47.7 mt -39.03 147.05 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.907 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.9 ptmm? -127.24 167.29 16.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.923 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -82.93 122.56 28.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.896 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.2 mp -113.82 168.31 9.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.906 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -136.1 112.46 9.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.929 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.7 t -130.0 149.49 33.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.139 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.702 HD12 ' HB ' ' A' ' 94' ' ' THR . 4.8 tp -82.56 149.21 27.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.916 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -54.46 145.62 17.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 80.72 18.66 69.9 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.467 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -118.06 -143.41 7.34 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.495 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -141.8 143.75 33.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.833 0.349 . . . . 0.0 111.093 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -111.3 124.82 53.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.126 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 99.9 m -112.29 103.23 11.36 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.131 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.4 mp -96.57 118.47 33.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.91 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.407 ' CB ' ' O ' ' A' ' 63' ' ' LEU . 4.7 ptt-85 -132.92 147.41 52.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 3.3 p -146.95 141.76 26.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 58.3 t -104.34 145.76 12.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.113 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.424 ' HB3' ' CG1' ' A' ' 9' ' ' VAL . 5.0 mp -118.07 153.32 33.94 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 67.8 p -49.84 -40.84 43.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.0 m -123.22 176.15 6.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.83 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 1.018 HG22 ' HB2' ' A' ' 61' ' ' ALA . 66.3 t -105.49 85.09 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.125 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.515 ' HB3' ' HE2' ' A' ' 82' ' ' PHE . . . -107.01 143.63 34.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.105 179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.871 ' HB1' ' HA ' ' A' ' 38' ' ' PRO . . . -168.01 166.98 7.05 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.535 0.683 . . . . 0.0 111.11 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.871 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 53.5 Cg_endo -69.71 177.83 27.38 Favored 'Cis proline' 0 C--O 1.232 0.175 0 C-N-CA 122.706 -1.789 . . . . 0.0 112.357 -0.074 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.2 m -115.73 172.34 4.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.136 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 35.4 tttt -122.6 119.59 31.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.666 ' CZ3' HD22 ' A' ' 65' ' ' LEU . 21.5 m95 -108.7 118.46 36.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.946 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.47 ' N ' HD12 ' A' ' 48' ' ' LEU . 16.6 p -139.58 152.26 46.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.888 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.409 ' HB2' HD11 ' A' ' 48' ' ' LEU . 10.1 t80 -133.69 104.82 6.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.953 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.64 -90.31 0.55 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.459 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -119.64 -58.41 1.9 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.76 0.314 . . . . 0.0 110.864 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.0 p-10 -63.78 140.8 58.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.8 t -82.82 143.16 12.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.144 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.47 HD12 ' N ' ' A' ' 42' ' ' CYS . 5.8 mt -89.31 134.58 34.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 54.9 mtp180 -136.42 145.35 51.29 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.62 0.724 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 144.1 53.02 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.696 2.264 . . . . 0.0 112.352 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -173.44 -125.75 0.86 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.448 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -98.96 -54.29 3.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.92 0.391 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.6 tmtm? -64.11 -25.54 68.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.858 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.624 ' CD2' HD11 ' A' ' 65' ' ' LEU . 2.8 m-85 -120.36 -179.48 3.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.922 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 3.8 t -167.26 106.97 0.59 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.88 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.404 HD23 ' CD1' ' A' ' 41' ' ' TRP . 5.6 mp -108.66 131.67 54.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.914 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.419 ' HG3' ' N ' ' A' ' 58' ' ' GLN . 7.0 tpp85 -141.45 146.69 36.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.578 HE22 ' HB2' ' A' ' 37' ' ' ALA . 31.7 tt0 -115.06 121.06 41.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.919 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 -119.35 80.11 1.52 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.857 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 46.58 93.87 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.53 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 1.018 ' HB2' HG22 ' A' ' 35' ' ' VAL . . . 49.91 36.52 11.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.779 0.323 . . . . 0.0 111.093 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 4.0 ttp -143.26 118.74 10.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.407 ' O ' ' CB ' ' A' ' 29' ' ' ARG . 2.8 mm? -94.32 158.69 15.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.959 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.1 tt0 -153.22 124.55 7.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.897 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.666 HD22 ' CZ3' ' A' ' 41' ' ' TRP . 50.5 tp -125.81 106.99 10.08 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.914 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 46.7 t -92.21 131.77 38.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.142 179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 97.8 t -129.97 114.99 31.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.155 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -91.45 172.81 8.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.7 t30 53.5 51.79 14.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 13.0 mt -60.98 142.84 56.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.925 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 25.8 mmm180 -139.96 152.49 67.89 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.6 0.714 . . . . 0.0 110.894 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -6.44 18.63 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.663 2.242 . . . . 0.0 112.351 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -97.89 -22.79 16.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.932 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 75' ' ' SER . 0.9 OUTLIER -70.22 -36.47 74.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 74' ' ' ASP . 47.2 m -36.98 132.63 0.67 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -170.01 -138.94 2.61 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.463 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 65.1 ttp85 -127.67 116.97 21.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.799 0.333 . . . . 0.0 110.924 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 12.3 m-85 -89.2 160.11 17.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.935 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 84.0 p -161.12 151.87 18.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.886 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 47.6 t -136.99 134.47 36.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 72.7 m -109.08 117.57 34.51 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.812 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.565 ' CE1' ' O ' ' A' ' 38' ' ' PRO . 7.5 t80 -164.3 142.25 6.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.911 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 57.11 31.79 62.28 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.524 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 28.9 m-20 66.53 26.18 9.95 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.802 0.334 . . . . 0.0 110.884 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 28.1 mm-40 -117.03 159.3 22.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.927 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 31.3 m -143.55 109.91 5.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.176 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.572 ' OG1' ' HB1' ' A' ' 14' ' ' ALA . 9.8 t -100.59 159.46 15.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.122 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 98.7 p -143.73 131.79 21.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.841 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -138.29 176.19 8.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.12 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 4.5 m -131.12 156.26 45.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.155 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 48.1 tp -128.79 142.54 50.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.936 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 62.1 m -117.78 132.67 56.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.151 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 89.0 t -129.81 123.2 56.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.148 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.702 ' HB ' HD12 ' A' ' 21' ' ' LEU . 25.1 m -88.04 129.13 35.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.128 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -72.38 120.28 17.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.084 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.629 ' C ' HD12 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -75.02 146.41 82.39 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.569 0.7 . . . . 0.0 110.91 -179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.521 ' N ' HD12 ' A' ' 96' ' ' LEU . 53.7 Cg_endo -69.73 98.09 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.713 2.275 . . . . 0.0 112.312 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.5 t -114.54 133.95 55.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.9 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -160.12 -81.09 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.516 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 127.62 14.82 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.652 2.235 . . . . 0.0 112.337 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 18.6 m -37.26 130.3 0.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 30.0 t -140.32 146.57 38.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.868 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.484 -179.971 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.363 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.0 t -147.82 158.5 44.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.866 0.365 . . . . 0.0 110.838 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.6 p -66.71 -12.82 60.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.879 -179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 73.95 92.15 0.14 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.497 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.8 t -154.79 130.8 10.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.901 0.381 . . . . 0.0 110.851 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.7 m -146.05 128.2 15.68 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.63 -82.56 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.519 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 147.42 62.98 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.692 2.262 . . . . 0.0 112.338 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.635 HG13 ' HB3' ' A' ' 33' ' ' SER . 85.9 t -74.77 119.07 21.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.132 179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 69.3 mtt-85 -101.84 163.47 12.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.888 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.417 ' HB3' ' HB2' ' A' ' 14' ' ' ALA . 10.6 m-85 -74.02 93.78 2.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.37 -62.05 1.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.898 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -118.59 57.05 0.87 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.418 ' HB1' ' OG1' ' A' ' 87' ' ' THR . . . -48.55 177.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.118 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.3 mt -58.57 178.7 0.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.9 mtmp? -155.49 160.07 40.27 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -63.67 129.98 42.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.836 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.52 ' HB2' HD12 ' A' ' 91' ' ' LEU . 9.7 mt -123.11 137.01 55.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -112.68 110.37 20.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.882 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 44.1 t -137.1 149.81 26.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.09 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.649 HD23 ' N ' ' A' ' 22' ' ' GLU . 2.3 tt -75.62 152.03 37.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.933 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.649 ' N ' HD23 ' A' ' 21' ' ' LEU . 4.8 pt-20 -61.73 179.57 0.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 52.16 44.89 57.59 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.513 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -151.36 -143.24 3.67 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.8 -0.715 . . . . 0.0 112.515 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -139.49 137.46 35.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.777 0.322 . . . . 0.0 111.093 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.688 ' HB2' HD11 ' A' ' 70' ' ' LEU . . . -113.76 113.34 24.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.114 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 46.1 m -105.58 120.73 42.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.165 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.541 HD13 HD23 ' A' ' 65' ' ' LEU . 6.7 mp -99.19 164.79 12.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.934 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 42.5 mtm180 -151.99 151.6 31.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 14.6 p -173.83 128.05 0.39 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 93.8 t -104.19 141.39 19.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.772 HD22 ' N ' ' A' ' 32' ' ' LEU . 0.7 OUTLIER -92.82 155.19 17.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.858 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.635 ' HB3' HG13 ' A' ' 9' ' ' VAL . 45.4 t -45.0 -24.72 0.25 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.4 t -158.12 152.24 24.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.763 ' HA ' ' HB2' ' A' ' 61' ' ' ALA . 39.0 t -53.14 107.34 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.12 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.96 136.6 37.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.13 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.852 ' HB1' ' HA ' ' A' ' 38' ' ' PRO . . . -173.87 166.92 2.54 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.599 0.714 . . . . 0.0 111.121 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.852 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 54.3 Cg_endo -69.71 176.33 32.88 Favored 'Cis proline' 0 C--N 1.341 0.184 0 C-N-CA 122.724 -1.782 . . . . 0.0 112.326 -0.016 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.57 HG21 HD11 ' A' ' 63' ' ' LEU . 40.4 t -117.11 150.0 19.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.127 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -104.56 138.36 41.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.474 ' CZ3' HD22 ' A' ' 65' ' ' LEU . 35.4 m95 -114.09 107.59 15.85 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.942 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 15.7 p -118.66 124.78 48.22 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.859 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -132.14 95.62 3.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 -179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 81.78 -162.16 42.81 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.504 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -48.48 -65.92 0.49 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.838 0.352 . . . . 0.0 110.92 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -71.26 170.11 13.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.4 p -118.07 145.44 23.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.174 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 30.1 mt -84.77 151.01 24.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.954 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 52.3 mtp180 -140.66 147.83 50.48 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.597 0.713 . . . . 0.0 110.882 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.766 ' HD3' HD12 ' A' ' 56' ' ' LEU . 53.8 Cg_endo -69.76 134.53 28.22 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.7 2.266 . . . . 0.0 112.304 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -176.12 -128.22 1.1 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.5 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -89.19 -49.66 6.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.902 0.382 . . . . 0.0 110.85 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.8 tptm -62.27 -59.24 5.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 42.2 m-85 -106.53 161.8 14.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.952 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.8 m -136.77 110.93 8.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.857 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.766 HD12 ' HD3' ' A' ' 50' ' ' PRO . 9.4 mt -113.99 114.66 26.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.962 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.479 ' HB3' ' CZ ' ' A' ' 57' ' ' ARG . 4.9 ptp180 -139.06 124.59 19.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 4.9 tm0? -98.52 144.24 28.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 60' ' ' GLY . 64.3 mt-10 -157.25 129.55 7.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.94 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 59' ' ' GLU . . . 34.78 60.85 0.63 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.439 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.763 ' HB2' ' HA ' ' A' ' 35' ' ' VAL . . . 52.65 47.18 25.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.798 0.332 . . . . 0.0 111.079 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 12.4 tpp -144.36 126.95 16.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.57 HD11 HG21 ' A' ' 39' ' ' VAL . 2.6 mm? -98.93 161.53 13.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -155.49 113.68 3.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.541 HD23 HD13 ' A' ' 28' ' ' LEU . 8.7 tp -116.98 106.75 13.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.907 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 82.2 t -94.01 122.47 45.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 85.7 t -116.32 104.68 17.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.146 179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 18.7 mmt180 -82.0 162.83 22.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.843 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.41 ' O ' ' NH2' ' A' ' 71' ' ' ARG . 0.2 OUTLIER 54.09 53.66 10.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.688 HD11 ' HB2' ' A' ' 26' ' ' ALA . 20.4 mt -62.58 156.25 23.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.913 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.41 ' NH2' ' O ' ' A' ' 69' ' ' ASN . 4.0 ptp85 -155.07 151.3 22.67 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.647 0.737 . . . . 0.0 110.859 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -19.72 35.56 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.723 2.282 . . . . 0.0 112.324 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 18.4 pt20 -83.14 -1.33 52.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.926 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -99.44 -23.46 15.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.855 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.2 m -41.65 103.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.823 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -141.93 -150.33 5.34 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.493 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -116.4 106.23 13.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.843 0.354 . . . . 0.0 110.846 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -92.31 125.35 36.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 -179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 68.8 p -122.18 155.87 34.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.863 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 39.2 t -130.89 127.5 38.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.873 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 13.8 t -85.89 122.47 30.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.407 ' CE1' ' HG ' ' A' ' 32' ' ' LEU . 78.0 t80 -131.2 91.66 3.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.86 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 64.95 -94.08 0.17 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.492 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.78 -37.26 4.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.807 0.337 . . . . 0.0 110.908 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -84.58 151.19 24.69 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 88.4 m -138.28 131.43 30.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.171 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.418 ' OG1' ' HB1' ' A' ' 14' ' ' ALA . 14.9 t -102.94 157.89 16.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.101 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 89.0 p -150.21 128.94 12.38 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.837 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -129.98 167.53 18.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.099 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 35.5 m -117.87 131.21 56.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.157 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.52 HD12 ' HB2' ' A' ' 18' ' ' LEU . 15.9 tp -101.3 128.42 47.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 98.3 m -98.93 127.63 44.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.158 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 86.2 t -126.61 127.91 70.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 28.6 m -100.51 129.91 46.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.164 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -74.83 126.52 31.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.125 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.638 ' C ' HD12 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -64.32 147.09 97.47 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.613 0.72 . . . . 0.0 110.905 -179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.544 ' N ' HD12 ' A' ' 96' ' ' LEU . 53.9 Cg_endo -69.71 106.62 1.68 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.674 2.249 . . . . 0.0 112.329 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 37.2 t -122.64 149.78 43.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.879 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 77.66 144.64 2.16 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.489 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -35.49 12.52 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.667 2.245 . . . . 0.0 112.338 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 15.5 m -60.74 114.13 2.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 24.8 m -111.32 -47.18 3.21 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.831 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.512 -179.966 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.0 t -129.57 124.72 34.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.876 0.37 . . . . 0.0 110.859 -179.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.9 t -134.66 151.33 50.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.869 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.78 75.34 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.526 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.2 t -73.5 140.86 46.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.909 0.385 . . . . 0.0 110.878 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.9 t -105.4 158.09 16.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -161.68 154.01 24.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.495 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 169.14 19.62 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.669 2.246 . . . . 0.0 112.356 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.515 HG11 ' HE1' ' A' ' 82' ' ' PHE . 26.8 t -77.99 149.43 5.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.112 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.3 mtt-85 -112.95 161.75 16.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.782 ' HB3' ' HB2' ' A' ' 14' ' ' ALA . 10.6 m-85 -89.7 100.45 13.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.881 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -60.63 -52.02 66.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.934 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.429 ' O ' ' C ' ' A' ' 14' ' ' ALA . 18.6 tp10 -131.27 46.44 2.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.89 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.813 ' HB1' ' OG1' ' A' ' 87' ' ' THR . . . -34.36 151.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.103 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.574 HD22 ' HB3' ' A' ' 28' ' ' LEU . 10.9 mt -48.46 153.41 0.76 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.905 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.3 mtpt -135.26 -179.01 5.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -61.1 147.12 44.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.849 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.4 mt -142.72 158.69 43.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.956 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -135.87 128.67 31.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.488 HG22 HD11 ' A' ' 91' ' ' LEU . 9.5 m -147.39 166.7 5.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.099 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.56 HD23 ' N ' ' A' ' 22' ' ' GLU . 2.7 tt -100.36 149.2 23.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.889 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.56 ' N ' HD23 ' A' ' 21' ' ' LEU . 0.2 OUTLIER -57.24 166.7 1.07 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.26 19.22 45.54 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.468 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -120.54 -148.74 8.12 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.466 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.653 ' HB2' ' HD3' ' A' ' 68' ' ' ARG . . . -140.45 143.23 35.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.85 0.357 . . . . 0.0 111.06 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.57 ' HB2' HD11 ' A' ' 70' ' ' LEU . . . -110.97 134.92 52.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.098 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 82.1 m -116.12 98.55 6.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.175 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.574 ' HB3' HD22 ' A' ' 15' ' ' LEU . 5.5 mp -95.9 107.81 20.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.907 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.3 ptt-85 -117.11 158.69 23.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.885 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.694 ' SG ' HD12 ' A' ' 63' ' ' LEU . 26.5 p -162.06 149.27 14.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.852 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 68.0 t -106.84 134.87 47.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.106 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.632 HD22 ' CD1' ' A' ' 82' ' ' PHE . 8.3 mt -100.75 155.22 18.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.956 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.9 t -70.76 -35.44 72.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 3.3 t -129.39 157.0 43.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.845 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 17.6 t -86.03 95.71 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.116 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.871 ' HB3' ' CZ ' ' A' ' 82' ' ' PHE . . . -122.57 150.99 41.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.134 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.849 ' HB1' ' HA ' ' A' ' 38' ' ' PRO . . . -168.86 167.02 6.14 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.618 0.723 . . . . 0.0 111.088 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.849 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 53.3 Cg_endo -69.76 175.01 38.25 Favored 'Cis proline' 0 C--N 1.342 0.219 0 C-N-CA 122.65 -1.813 . . . . 0.0 112.361 -0.04 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.598 HG21 HD21 ' A' ' 63' ' ' LEU . 9.2 t -108.07 140.11 27.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.075 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.2 tttp -107.83 138.19 44.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.865 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.715 ' CE3' HD22 ' A' ' 65' ' ' LEU . 28.1 m95 -120.08 111.06 17.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.911 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.3 p -106.3 153.26 22.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.869 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.4 ' O ' ' C ' ' A' ' 44' ' ' GLY . 19.2 t80 -133.51 147.16 51.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.937 -179.776 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 43' ' ' TYR . . . -38.1 -49.68 2.13 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.476 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 15.1 t30 -66.48 -72.49 0.16 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.871 0.367 . . . . 0.0 110.915 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.461 ' CG ' ' N ' ' A' ' 47' ' ' VAL . 1.1 t-20 -150.68 165.17 34.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.864 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.461 ' N ' ' CG ' ' A' ' 46' ' ' ASN . 11.5 p -50.53 151.43 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.097 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.0 mt -106.42 148.9 27.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 60.1 mtm180 -132.1 146.08 60.13 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.569 0.699 . . . . 0.0 110.878 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.833 ' HB3' HD13 ' A' ' 56' ' ' LEU . 53.7 Cg_endo -69.78 145.81 58.15 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.699 2.266 . . . . 0.0 112.31 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 174.54 -115.07 0.53 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.458 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 65.9 m-20 -105.88 -62.18 1.4 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.89 0.376 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.65 -37.85 13.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.479 ' HB3' HD11 ' A' ' 65' ' ' LEU . 5.1 m-85 -122.65 164.77 17.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.942 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 23.1 t -143.1 119.06 10.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.833 HD13 ' HB3' ' A' ' 50' ' ' PRO . 4.2 mp -113.83 127.23 55.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.952 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 16.5 ttm180 -148.22 122.15 9.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.864 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 19.0 tt0 -100.2 125.16 46.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.932 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -128.57 82.45 2.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 61' ' ' ALA . . . 52.13 101.46 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.466 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 60' ' ' GLY . . . 37.17 42.43 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.75 0.31 . . . . 0.0 111.085 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 6.7 ttp -147.26 139.15 24.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.895 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.694 HD12 ' SG ' ' A' ' 30' ' ' CYS . 5.8 mt -132.3 152.16 51.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -154.78 113.41 3.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.715 HD22 ' CE3' ' A' ' 41' ' ' TRP . 36.6 tp -108.39 125.76 52.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.3 t -110.48 130.72 63.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.106 179.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.2 t -124.64 107.2 17.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.127 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.653 ' HD3' ' HB2' ' A' ' 25' ' ' ALA . 27.8 mmt180 -86.9 170.57 11.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.5 m120 54.05 49.39 18.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.57 HD11 ' HB2' ' A' ' 26' ' ' ALA . 16.2 mt -65.18 172.55 2.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.935 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 13.6 mtp180 -162.35 157.72 19.62 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.598 0.713 . . . . 0.0 110.893 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -1.86 9.19 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.702 2.268 . . . . 0.0 112.337 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 17.2 mm100 -105.72 -37.88 6.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.41 ' O ' ' C ' ' A' ' 75' ' ' SER . 0.8 OUTLIER -55.21 -41.16 71.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.805 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.41 ' C ' ' O ' ' A' ' 74' ' ' ASP . 21.4 p -37.45 113.15 0.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.731 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -143.9 -124.94 1.85 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.514 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -129.85 108.56 10.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.817 0.341 . . . . 0.0 110.86 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -87.17 130.45 34.54 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.894 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 28.2 m -142.63 157.01 45.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.85 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 9.8 t -141.58 130.24 22.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 50.4 m -89.02 107.01 18.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.84 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.871 ' CZ ' ' HB3' ' A' ' 36' ' ' ALA . 49.1 t80 -134.61 95.24 3.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.902 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 85.37 -141.38 18.97 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.494 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -85.45 -39.68 17.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.798 0.333 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -88.8 138.59 31.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 18.9 m -117.61 132.31 56.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.15 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.813 ' OG1' ' HB1' ' A' ' 14' ' ' ALA . 14.0 t -90.28 157.86 17.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.118 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 94.9 p -153.79 125.76 7.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -130.55 175.83 8.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.097 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 47.6 m -134.67 145.22 48.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.488 HD11 HG22 ' A' ' 20' ' ' VAL . 10.2 tp -122.12 138.38 54.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 46.3 m -107.14 126.62 52.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.108 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 57.5 t -114.59 117.97 57.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.091 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 88.1 m -89.55 147.2 24.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.155 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -87.94 113.18 23.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.14 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.681 ' C ' HD12 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -50.98 144.9 12.95 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.677 0.751 . . . . 0.0 110.911 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.511 ' N ' HD12 ' A' ' 96' ' ' LEU . 54.1 Cg_endo -69.77 104.12 1.27 Allowed 'Trans proline' 0 C--N 1.342 0.231 0 C-N-CA 122.644 2.229 . . . . 0.0 112.395 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 33.2 t -112.18 99.31 7.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -88.61 146.38 19.35 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.485 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -1.15 7.96 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.681 2.254 . . . . 0.0 112.339 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 93.1 p -113.96 164.63 13.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.8 m -117.37 90.75 3.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.819 -179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.461 179.979 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.3 p 43.3 41.02 2.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.885 0.374 . . . . 0.0 110.888 -179.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.8 t -78.41 130.3 35.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.99 -100.9 2.54 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.48 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t -115.95 158.13 23.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.872 0.368 . . . . 0.0 110.854 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.0 m -42.77 -60.16 1.68 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.824 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.77 146.24 8.7 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.456 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 162.79 40.73 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.707 2.271 . . . . 0.0 112.321 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 87.9 t -139.33 124.36 21.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.15 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -117.5 143.3 46.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.587 ' HB3' ' HB2' ' A' ' 14' ' ' ALA . 8.8 m-85 -63.87 80.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.861 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.0 tp60 -48.87 -54.18 16.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.91 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -132.74 58.29 1.77 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.587 ' HB2' ' HB3' ' A' ' 11' ' ' PHE . . . -40.83 160.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.099 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.541 HD12 HG23 ' A' ' 87' ' ' THR . 6.1 mt -52.52 -176.87 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 17' ' ' ASP . 1.9 pptp? -169.23 142.52 2.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 179.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.412 ' C ' ' O ' ' A' ' 16' ' ' LYS . 0.4 OUTLIER -37.22 141.32 0.15 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.852 179.88 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.5 mp -123.13 156.31 35.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.912 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -126.36 110.93 13.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 73.5 t -133.7 151.89 33.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.165 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.715 HD12 ' HB ' ' A' ' 94' ' ' THR . 12.1 tp -91.92 142.95 26.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.947 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.4 tt0 -47.64 149.05 1.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.13 11.04 79.41 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.459 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -118.98 -147.67 8.19 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.463 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -140.57 152.89 45.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.831 0.348 . . . . 0.0 111.096 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -113.91 124.64 52.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.086 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 94.5 m -116.54 136.91 52.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.117 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.785 HD21 ' CE2' ' A' ' 78' ' ' TYR . 7.2 mp -104.85 134.87 47.26 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 32.3 mtm180 -134.68 127.87 31.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.847 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.541 ' SG ' HD23 ' A' ' 63' ' ' LEU . 23.2 p -158.3 131.35 7.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.859 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 69.1 t -104.74 137.32 34.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.123 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.401 HD11 HD21 ' A' ' 63' ' ' LEU . 8.1 mt -105.23 160.74 14.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.906 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 42.3 t -47.65 -41.35 22.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 5.6 m -149.1 142.13 24.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.427 ' HB ' ' N ' ' A' ' 61' ' ' ALA . 2.4 p -53.11 136.62 14.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.161 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -158.26 151.17 22.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.849 ' HB1' ' HA ' ' A' ' 38' ' ' PRO . . . -174.68 166.96 2.15 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.625 0.726 . . . . 0.0 111.114 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.849 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 53.9 Cg_endo -69.72 168.32 67.76 Favored 'Cis proline' 0 C--N 1.342 0.215 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.352 -0.035 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.821 HG21 HD11 ' A' ' 63' ' ' LEU . 12.6 t -112.83 152.27 14.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.163 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.0 tptm -109.14 130.26 55.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.753 ' HZ3' HD22 ' A' ' 28' ' ' LEU . 38.7 m95 -109.77 161.09 15.76 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.903 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.8 m -149.43 133.76 17.42 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.885 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.553 ' HB2' HD11 ' A' ' 48' ' ' LEU . 0.5 OUTLIER -150.85 132.46 14.83 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.951 -179.789 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.449 ' C ' ' O ' ' A' ' 43' ' ' TYR . . . 34.54 59.87 0.65 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.5 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 60.0 t30 52.83 48.33 22.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.873 0.368 . . . . 0.0 110.906 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -158.05 -176.4 5.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.2 p -115.71 135.5 55.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.089 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.567 HD13 HD21 ' A' ' 65' ' ' LEU . 70.5 mt -96.17 91.32 5.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 62.0 mtm180 -101.19 155.17 36.65 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.622 0.725 . . . . 0.0 110.886 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.498 ' CD ' HD13 ' A' ' 56' ' ' LEU . 53.8 Cg_endo -69.75 161.22 46.79 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.706 2.271 . . . . 0.0 112.309 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 162.76 -137.98 5.11 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.524 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -87.35 -33.71 19.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.871 0.367 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.3 tptm -88.83 -39.2 14.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.943 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -118.97 173.84 6.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.948 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.722 ' C ' HD12 ' A' ' 56' ' ' LEU . 2.2 m -157.3 144.63 18.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.821 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.722 HD12 ' C ' ' A' ' 55' ' ' SER . 8.6 mp -134.27 134.59 42.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.952 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 39.8 mtt180 -145.44 118.98 9.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.873 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -91.49 130.21 37.35 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.9 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' A' ' 60' ' ' GLY . 17.5 tt0 -127.59 81.37 2.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.882 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 59' ' ' GLU . . . 35.46 88.62 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.455 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.427 ' N ' ' HB ' ' A' ' 35' ' ' VAL . . . 59.69 50.79 6.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.782 0.325 . . . . 0.0 111.091 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 4.7 ttt -163.06 115.81 1.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.821 HD11 HG21 ' A' ' 39' ' ' VAL . 2.5 mm? -88.08 159.44 18.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -155.7 116.01 3.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.647 HD22 ' CZ3' ' A' ' 41' ' ' TRP . 24.7 tp -126.1 104.62 8.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.954 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 55.7 t -86.59 129.47 38.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.145 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 15.7 t -119.71 117.21 53.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.136 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 86.6 mtt180 -105.64 164.41 11.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 1.9 m120 66.97 49.6 1.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.566 ' CD2' HD21 ' A' ' 91' ' ' LEU . 12.7 mt -58.95 160.12 6.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.451 ' CG ' ' O ' ' A' ' 70' ' ' LEU . 15.3 mtm105 -161.13 152.76 16.18 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.607 0.718 . . . . 0.0 110.889 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -6.35 18.38 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.663 2.242 . . . . 0.0 112.347 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -107.4 -19.92 13.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.943 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -74.68 -25.71 59.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 67.3 m -49.61 105.33 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.84 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -138.05 -148.51 5.37 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.474 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 24.7 ttm180 -130.57 118.06 20.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.822 0.344 . . . . 0.0 110.837 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.785 ' CE2' HD21 ' A' ' 28' ' ' LEU . 0.1 OUTLIER -122.24 135.25 54.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 -179.873 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 69.4 p -129.28 146.72 51.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.866 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.574 ' O ' HG23 ' A' ' 86' ' ' THR . 2.7 t -99.87 129.02 45.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.854 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 51.8 p -101.04 117.33 34.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -143.83 121.0 11.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.878 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 67.16 -108.87 2.61 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.469 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -117.81 -33.47 4.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.749 0.309 . . . . 0.0 110.892 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.4 ' CD ' ' H ' ' A' ' 85' ' ' GLN . 0.4 OUTLIER -85.75 154.46 21.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.894 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.574 HG23 ' O ' ' A' ' 80' ' ' CYS . 95.2 m -144.92 134.37 23.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.165 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.541 HG23 HD12 ' A' ' 15' ' ' LEU . 10.8 t -108.82 136.93 47.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.205 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 22.9 t -120.82 138.21 54.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.864 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -132.18 170.9 14.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.087 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 75.8 m -131.28 147.87 52.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.566 HD21 ' CD2' ' A' ' 70' ' ' LEU . 32.4 tp -106.67 138.09 43.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.911 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 91.7 m -120.77 111.77 18.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.147 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.405 HG21 HD22 ' A' ' 70' ' ' LEU . 48.9 t -119.66 124.8 73.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.079 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.715 ' HB ' HD12 ' A' ' 21' ' ' LEU . 27.7 m -97.34 130.81 44.46 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.098 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.29 103.27 0.97 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.118 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.818 ' C ' HD12 ' A' ' 96' ' ' LEU . 0.4 OUTLIER -57.08 147.24 56.87 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.593 0.711 . . . . 0.0 110.899 -179.912 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.612 ' N ' HD12 ' A' ' 96' ' ' LEU . 53.9 Cg_endo -69.76 112.1 2.99 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.648 2.232 . . . . 0.0 112.394 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.2 t -144.6 135.1 24.53 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.829 -179.784 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 163.97 -157.29 29.51 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.45 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 137.27 34.94 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.652 2.235 . . . . 0.0 112.329 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 31.4 t -78.66 -52.21 8.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.858 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 30.2 t -129.9 83.6 2.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.869 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.529 -179.947 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.0 m -98.01 167.05 11.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.866 0.365 . . . . 0.0 110.866 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 56.7 p -39.59 136.18 1.03 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.844 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.71 -158.27 1.38 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.448 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.7 p -114.61 112.11 22.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.897 0.38 . . . . 0.0 110.859 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.7 m -66.64 -55.09 16.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 95.61 177.13 37.02 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.496 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 178.97 4.01 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.716 2.277 . . . . 0.0 112.356 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.565 HG13 ' HB3' ' A' ' 33' ' ' SER . 75.1 t -80.21 140.8 16.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -117.94 157.53 26.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.843 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 8.7 m-85 -71.96 93.89 1.41 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.898 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -73.63 -50.85 19.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -127.02 62.19 1.34 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.456 ' HB1' ' OG1' ' A' ' 87' ' ' THR . . . -56.7 178.95 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.601 HD22 ' HB3' ' A' ' 28' ' ' LEU . 9.1 mt -63.17 162.06 12.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.895 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 17' ' ' ASP . 0.0 OUTLIER -146.42 147.46 31.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.855 179.848 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.44 ' C ' ' O ' ' A' ' 16' ' ' LYS . 2.4 p30 -34.6 123.34 0.53 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.2 mt -107.53 157.41 18.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -136.93 126.65 25.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.478 HG11 ' HB2' ' A' ' 26' ' ' ALA . 4.2 m -156.49 167.17 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.09 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.484 HD23 ' N ' ' A' ' 22' ' ' GLU . 1.4 tt -98.5 149.18 22.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.484 ' N ' HD23 ' A' ' 21' ' ' LEU . 10.1 pt-20 -53.3 159.79 1.28 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.875 179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 53.36 57.81 14.11 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.467 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -148.88 -147.45 4.53 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.459 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -141.0 115.5 9.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.82 0.343 . . . . 0.0 111.13 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.703 ' N ' HD11 ' A' ' 70' ' ' LEU . . . -121.25 120.95 36.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.102 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 6.7 t -110.13 149.86 29.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.137 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.601 ' HB3' HD22 ' A' ' 15' ' ' LEU . 6.0 mp -101.66 135.0 43.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 69.5 mtt180 -121.63 133.65 54.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.895 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 19.5 p -155.73 130.48 9.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.487 HG13 ' O ' ' A' ' 61' ' ' ALA . 79.1 t -107.18 145.47 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.093 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.679 HD13 ' HB3' ' A' ' 36' ' ' ALA . 4.7 mt -99.88 147.62 25.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.565 ' HB3' HG13 ' A' ' 9' ' ' VAL . 40.4 t -39.67 -44.38 1.51 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.832 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 36.9 t -148.37 163.09 38.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.89 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 88.7 t -44.05 115.46 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.138 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.679 ' HB3' HD13 ' A' ' 32' ' ' LEU . . . -144.91 126.9 15.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.099 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.881 ' HB1' ' HA ' ' A' ' 38' ' ' PRO . . . -172.62 167.15 3.16 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.587 0.708 . . . . 0.0 111.111 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.881 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 53.3 Cg_endo -69.78 179.03 23.47 Favored 'Cis proline' 0 C--N 1.341 0.162 0 C-N-CA 122.679 -1.801 . . . . 0.0 112.334 0.002 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.516 HG21 HD21 ' A' ' 63' ' ' LEU . 50.2 t -125.91 147.22 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.141 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 33.3 tttt -105.48 125.41 50.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.885 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.494 ' CE3' HD22 ' A' ' 65' ' ' LEU . 45.6 m95 -114.05 102.66 10.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.907 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.421 ' HB2' HG23 ' A' ' 47' ' ' VAL . 44.1 t -118.73 128.3 54.37 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.678 ' CD1' ' CD1' ' A' ' 78' ' ' TYR . 16.7 t80 -110.79 102.52 11.04 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.894 -179.819 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.94 -112.24 3.42 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.532 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 17.0 t30 -103.46 -60.16 1.6 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.853 0.358 . . . . 0.0 110.916 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 38.4 m-20 -73.83 114.77 12.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.421 HG23 ' HB2' ' A' ' 42' ' ' CYS . 8.6 p -60.35 143.91 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.124 179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.436 HD22 ' CE1' ' A' ' 54' ' ' TYR . 60.0 mt -76.51 149.75 36.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.925 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 44.4 mtp180 -135.93 141.25 35.95 Favored Pre-proline 0 C--N 1.33 -0.266 0 CA-C-O 121.617 0.722 . . . . 0.0 110.851 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 146.88 61.64 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.671 2.247 . . . . 0.0 112.321 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 174.83 -94.33 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.488 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -125.53 -60.87 1.3 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.886 0.375 . . . . 0.0 110.878 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.407 ' HD2' ' CE2' ' A' ' 54' ' ' TYR . 6.8 tmtt? -58.44 -43.23 88.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.842 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.436 ' CE1' HD22 ' A' ' 48' ' ' LEU . 85.8 m-85 -107.81 149.22 28.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.949 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.423 ' C ' HD12 ' A' ' 56' ' ' LEU . 16.2 m -136.25 130.54 33.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.899 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.423 HD12 ' C ' ' A' ' 55' ' ' SER . 5.9 mp -129.99 124.69 33.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 10.2 tpt85 -125.0 107.88 11.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.853 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.8 tm0? -88.69 134.2 33.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -159.92 129.38 5.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.91 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 41.87 -111.61 0.33 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.481 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.487 ' O ' HG13 ' A' ' 31' ' ' VAL . . . -122.89 30.72 6.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.784 0.325 . . . . 0.0 111.076 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -126.75 142.05 51.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.516 HD21 HG21 ' A' ' 39' ' ' VAL . 7.1 mt -128.73 152.42 48.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.896 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 15.2 tt0 -147.8 115.09 6.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.494 HD22 ' CE3' ' A' ' 41' ' ' TRP . 9.7 tp -112.9 102.91 10.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.869 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 91.6 t -79.73 141.28 15.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.093 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 91.3 t -132.55 107.41 12.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.128 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 37.0 mtt-85 -92.53 167.85 11.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.86 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 49.2 t30 60.89 54.67 3.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.919 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.703 HD11 ' N ' ' A' ' 26' ' ' ALA . 34.4 mt -76.21 164.19 26.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.942 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.484 ' C ' HG11 ' A' ' 93' ' ' VAL . 25.1 mtp180 -160.08 158.9 26.84 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.607 0.718 . . . . 0.0 110.885 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 3.25 2.92 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.65 2.233 . . . . 0.0 112.343 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 24.0 mm100 -109.57 -38.55 5.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 75' ' ' SER . 67.0 m-20 -51.85 -40.03 59.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.843 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 74' ' ' ASP . 4.0 m -34.51 108.48 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.856 -179.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -141.97 -132.65 2.76 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.499 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.469 ' HB3' ' CZ ' ' A' ' 77' ' ' ARG . 20.5 ttp-105 -130.57 104.41 7.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.863 0.363 . . . . 0.0 110.921 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.678 ' CD1' ' CD1' ' A' ' 43' ' ' TYR . 49.1 m-85 -95.59 139.38 31.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.926 -179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 67.9 m -144.88 152.72 40.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 11.1 t -124.15 128.8 49.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.875 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 31.9 t -88.4 123.91 33.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.853 -179.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.442 ' CE2' HD22 ' A' ' 32' ' ' LEU . 28.7 t80 -141.3 117.72 10.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 55.34 -102.57 0.17 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.453 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -119.16 -32.67 4.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.729 0.3 . . . . 0.0 110.879 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 18.7 mm-40 -85.68 148.01 26.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.925 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.4 HG22 ' N ' ' A' ' 87' ' ' THR . 85.7 m -130.88 152.89 49.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.096 -179.863 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.456 ' OG1' ' HB1' ' A' ' 14' ' ' ALA . 14.3 t -121.83 158.87 27.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.136 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 88.2 p -151.21 132.94 14.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.837 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.54 ' HB2' ' HB2' ' A' ' 15' ' ' LEU . . . -133.02 170.35 15.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.116 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 35.8 m -132.32 125.25 30.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.104 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 34.6 tp -95.63 139.92 31.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.938 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 97.8 m -103.74 126.26 50.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.135 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.484 HG11 ' C ' ' A' ' 71' ' ' ARG . 64.6 t -119.0 117.66 55.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.095 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 91.5 m -91.98 141.59 28.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.13 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -83.36 125.18 31.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.105 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.625 ' C ' HD12 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -73.9 147.35 86.2 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.581 0.705 . . . . 0.0 110.906 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.545 ' N ' HD12 ' A' ' 96' ' ' LEU . 53.4 Cg_endo -69.82 102.95 1.1 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.666 2.244 . . . . 0.0 112.336 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.1 t -60.4 146.4 44.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 143.39 173.19 14.77 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.442 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 88.98 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.717 2.278 . . . . 0.0 112.306 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 4.1 m -57.44 159.52 4.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.855 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 40.9 t -69.56 129.03 38.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.5 -179.965 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.3 m -124.77 156.24 38.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.842 0.353 . . . . 0.0 110.87 -179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.7 t -99.15 88.24 3.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.815 -179.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.43 -131.08 1.82 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.493 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m 48.25 45.16 20.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.886 0.374 . . . . 0.0 110.855 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.6 p -89.4 150.22 22.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.901 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.86 -179.62 16.32 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.474 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -178.4 2.31 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.666 2.244 . . . . 0.0 112.366 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.417 HG21 ' HB2' ' A' ' 36' ' ' ALA . 55.5 t -74.83 135.9 26.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.171 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.419 ' HB3' ' NH1' ' A' ' 10' ' ' ARG . 4.5 mmm180 -99.58 129.07 45.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 8.8 m-85 -58.56 89.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 38.7 tp60 -63.53 -66.1 0.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -122.57 68.5 0.96 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.905 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.546 ' HB1' ' OG1' ' A' ' 87' ' ' THR . . . -58.2 174.35 0.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.066 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.4 HD22 ' HB3' ' A' ' 28' ' ' LEU . 8.2 mt -52.7 157.28 1.64 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.926 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 50.8 pttt -141.86 159.13 42.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.881 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -47.04 135.24 9.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.415 HD23 ' CD1' ' A' ' 91' ' ' LEU . 12.4 tp -128.54 144.34 51.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -113.2 118.2 34.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.863 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 16.5 t -142.96 153.31 17.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.076 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.694 HD23 ' N ' ' A' ' 22' ' ' GLU . 5.2 tt -88.07 154.62 20.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.887 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.694 ' N ' HD23 ' A' ' 21' ' ' LEU . 12.1 pt-20 -69.39 157.78 36.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.79 27.62 68.67 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.464 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -137.14 -139.63 3.94 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.479 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -137.16 145.62 43.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.773 0.32 . . . . 0.0 111.07 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.756 ' HB2' HD11 ' A' ' 70' ' ' LEU . . . -111.69 123.18 49.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 20.1 m -116.01 114.85 25.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.4 ' HB3' HD22 ' A' ' 15' ' ' LEU . 4.2 mp -105.12 161.08 14.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 63.5 mtm-85 -145.81 157.69 43.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.861 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.409 ' SG ' HD23 ' A' ' 63' ' ' LEU . 26.1 p -167.66 125.4 1.2 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 46.9 t -104.21 121.67 56.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 23.4 mt -84.59 174.19 10.18 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.946 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.7 t -57.33 -32.13 66.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.417 ' C ' ' HB2' ' A' ' 61' ' ' ALA . 8.1 t -165.77 179.17 6.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.848 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 77.9 t -59.35 111.33 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.137 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.702 ' HB1' ' CZ ' ' A' ' 82' ' ' PHE . . . -135.0 119.51 18.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.069 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.852 ' HB1' ' HA ' ' A' ' 38' ' ' PRO . . . -171.72 166.97 3.82 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.597 0.713 . . . . 0.0 111.059 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.852 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 53.8 Cg_endo -69.71 154.31 93.09 Favored 'Cis proline' 0 C--N 1.341 0.182 0 C-N-CA 122.726 -1.781 . . . . 0.0 112.364 -0.026 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.585 HG21 HD11 ' A' ' 63' ' ' LEU . 9.0 t -105.37 162.28 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.172 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.491 ' N ' HG12 ' A' ' 39' ' ' VAL . 44.6 tttm -110.86 148.36 32.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.65 ' CZ3' HD22 ' A' ' 65' ' ' LEU . 25.7 m95 -127.96 140.46 51.98 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.922 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 15.3 p -153.3 133.81 13.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.442 ' CD1' ' CE1' ' A' ' 78' ' ' TYR . 6.3 t80 -116.93 108.82 16.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.948 -179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 70.61 -99.18 0.72 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.484 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -128.04 45.37 2.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.825 0.345 . . . . 0.0 110.927 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -160.43 157.3 27.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.905 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.549 ' O ' HG13 ' A' ' 47' ' ' VAL . 10.0 p -99.64 119.71 48.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.098 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 74.6 mt -72.51 136.66 45.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.417 ' NH1' ' HB2' ' A' ' 49' ' ' ARG . 16.7 mtm105 -125.08 143.9 45.58 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.637 0.732 . . . . 0.0 110.881 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 129.79 18.25 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.672 2.248 . . . . 0.0 112.304 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -160.3 -140.4 2.88 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.512 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -85.31 -38.66 18.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.932 0.396 . . . . 0.0 110.887 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 18.2 tptm -73.66 -64.2 1.05 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 73.8 m-85 -83.46 150.13 26.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.916 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 26.6 m -132.9 98.78 4.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.432 HD23 ' CD1' ' A' ' 41' ' ' TRP . 5.4 mp -108.41 100.91 10.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -105.37 108.48 20.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 23.2 tm0? -78.53 141.48 38.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -153.79 110.6 3.38 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.838 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 47.48 -123.13 8.16 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.465 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.417 ' HB2' ' C ' ' A' ' 34' ' ' SER . . . -102.69 53.3 0.78 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.786 0.327 . . . . 0.0 111.088 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.596 ' C ' HD22 ' A' ' 63' ' ' LEU . 22.2 ttp -155.43 140.14 17.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.769 ' N ' HD22 ' A' ' 63' ' ' LEU . 0.7 OUTLIER -121.66 132.85 54.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -122.39 135.81 54.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.84 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.65 HD22 ' CZ3' ' A' ' 41' ' ' TRP . 9.9 tp -135.46 116.79 14.6 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 73.7 t -110.0 115.65 50.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.076 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.0 t -113.97 107.24 22.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.111 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -80.6 179.36 7.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.837 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 56.32 45.42 22.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.756 HD11 ' HB2' ' A' ' 26' ' ' ALA . 12.3 mt -60.8 153.55 24.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.937 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 40.2 mtt-85 -149.33 153.26 37.21 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.612 0.72 . . . . 0.0 110.873 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -6.64 19.07 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.71 2.273 . . . . 0.0 112.322 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -113.62 -29.84 7.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 35.4 t0 -55.84 -40.98 73.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.839 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.2 p -39.87 150.46 0.05 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.816 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -167.45 -125.23 0.76 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.474 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 36.3 ttp180 -128.67 99.53 5.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.878 0.37 . . . . 0.0 110.871 -179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.442 ' CE1' ' CD1' ' A' ' 43' ' ' TYR . 63.5 m-85 -90.02 107.78 19.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 -179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.0 p -127.34 124.42 38.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 36.0 t -91.23 136.64 32.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.919 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 12.3 m -106.42 132.57 52.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.702 ' CZ ' ' HB1' ' A' ' 36' ' ' ALA . 28.2 t80 -163.56 135.81 5.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.916 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 56.34 -116.6 7.7 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.489 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -115.19 -24.27 8.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.733 0.301 . . . . 0.0 110.862 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 26.8 mp0 -90.46 155.22 19.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.93 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 87.8 m -144.25 126.49 15.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.134 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.546 ' OG1' ' HB1' ' A' ' 14' ' ' ALA . 14.6 t -99.8 152.44 20.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.137 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 83.5 p -139.56 136.32 34.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -139.08 166.67 23.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.112 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 58.6 m -128.08 135.58 50.01 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.166 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.415 ' CD1' HD23 ' A' ' 18' ' ' LEU . 15.0 tp -99.67 125.44 45.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.955 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 55.3 m -95.36 106.42 18.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.126 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 59.4 t -96.78 118.46 43.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.142 179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 4.8 m -85.12 124.57 31.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.112 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 96' ' ' LEU . . . -75.46 117.5 17.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.119 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.645 ' HG ' HD21 ' A' ' 21' ' ' LEU . 9.8 mt -35.75 145.48 0.22 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.627 0.727 . . . . 0.0 110.913 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.473 ' HD2' HD23 ' A' ' 96' ' ' LEU . 53.9 Cg_endo -69.73 177.37 5.63 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.716 2.277 . . . . 0.0 112.325 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.4 m -86.89 -53.25 5.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.872 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 148.46 -81.41 0.2 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.54 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 134.42 27.92 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.699 2.266 . . . . 0.0 112.384 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.4 t -133.76 177.68 7.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 2.4 t -134.92 100.8 4.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.832 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.487 179.967 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.6 t -70.75 -51.69 25.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.848 0.356 . . . . 0.0 110.866 -179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.7 p -131.64 149.83 52.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.93 147.48 10.87 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.51 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -86.56 160.82 18.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.862 0.363 . . . . 0.0 110.86 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.1 m -111.6 158.91 18.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.833 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.96 -158.3 7.53 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.44 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -177.94 2.11 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.657 2.238 . . . . 0.0 112.333 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 56.0 t -84.26 106.05 14.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.129 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.4 mtm105 -76.27 -175.03 3.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.928 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 10.3 m-85 -124.56 86.95 2.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.855 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 46.2 tp60 -62.96 -53.44 54.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.871 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -132.17 74.54 1.59 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.871 -179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.918 ' HB1' HG21 ' A' ' 87' ' ' THR . . . -64.87 178.49 0.8 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.101 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.693 HD22 ' HB3' ' A' ' 28' ' ' LEU . 89.1 mt -55.93 148.28 17.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.955 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.12 151.33 51.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.895 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -42.0 154.79 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.856 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.5 mt -136.88 150.68 48.39 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -128.82 126.26 39.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.535 HG22 ' N ' ' A' ' 21' ' ' LEU . 2.6 p -157.17 160.18 2.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.136 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.535 ' N ' HG22 ' A' ' 20' ' ' VAL . 3.2 tp -107.06 131.6 53.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.939 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 21' ' ' LEU . 9.8 tp10 -37.78 125.7 1.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 112.42 41.08 1.07 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.475 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -160.53 -144.68 4.05 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.479 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.409 ' C ' HD11 ' A' ' 70' ' ' LEU . . . -139.58 153.17 47.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.783 0.325 . . . . 0.0 111.116 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -118.24 130.11 55.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.128 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 26.2 m -122.58 127.3 49.26 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.141 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.693 ' HB3' HD22 ' A' ' 15' ' ' LEU . 4.6 mp -109.11 132.45 54.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.888 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.4 mtm105 -124.26 131.84 53.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.5 p -150.55 131.68 14.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.849 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 46.9 t -103.45 136.06 38.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.191 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 22.2 mt -95.5 146.6 24.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.2 t -45.59 -31.79 2.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.878 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 29.1 m -140.89 174.45 10.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.831 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.789 HG22 ' HB2' ' A' ' 61' ' ' ALA . 84.6 t -85.11 95.65 4.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.147 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.03 129.9 38.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.12 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.864 ' HB1' ' HA ' ' A' ' 38' ' ' PRO . . . -174.96 166.97 2.01 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.609 0.718 . . . . 0.0 111.061 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.864 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 54.0 Cg_endo -69.75 -179.9 20.43 Favored 'Cis proline' 0 C--N 1.341 0.171 0 C-N-CA 122.678 -1.801 . . . . 0.0 112.343 -0.014 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 33.9 m -123.01 175.32 6.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.105 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.7 tptp -110.82 122.18 47.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.925 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 52.8 m95 -99.98 160.11 14.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.921 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 46.5 t -152.28 119.93 6.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.702 ' HB3' HD11 ' A' ' 48' ' ' LEU . 4.3 t80 -146.89 111.13 5.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . 0.443 ' C ' ' O ' ' A' ' 43' ' ' TYR . . . 34.9 37.27 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.518 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 26.5 t30 -171.19 178.85 3.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.878 0.37 . . . . 0.0 110.849 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -70.74 -63.29 1.12 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.887 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 8.3 p -144.07 139.83 24.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.138 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.702 HD11 ' HB3' ' A' ' 43' ' ' TYR . 38.3 mt -88.58 146.2 25.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.909 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 47.9 mtp180 -124.26 143.99 44.38 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.596 0.712 . . . . 0.0 110.822 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 145.13 55.97 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.653 2.235 . . . . 0.0 112.372 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -179.75 -146.99 7.14 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.489 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 36.9 m-20 -80.62 -46.61 15.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.874 0.369 . . . . 0.0 110.868 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.1 tptt -61.32 -44.91 96.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.871 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 -111.89 172.15 7.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.931 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 18.9 m -154.02 110.37 3.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.848 -179.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.507 ' N ' HD12 ' A' ' 56' ' ' LEU . 6.5 mp -105.7 109.32 21.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 36.4 ttp180 -126.03 115.46 19.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.461 ' OE1' ' CD1' ' A' ' 63' ' ' LEU . 26.5 tp60 -85.79 137.71 32.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.939 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -133.35 82.55 2.0 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.21 -97.43 0.59 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.495 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.789 ' HB2' HG22 ' A' ' 35' ' ' VAL . . . -123.63 31.71 5.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.785 0.326 . . . . 0.0 111.137 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 18.1 tmm? -134.75 136.81 42.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.924 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.461 ' CD1' ' OE1' ' A' ' 58' ' ' GLN . 2.4 mm? -101.57 139.17 37.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.457 ' C ' ' OE1' ' A' ' 64' ' ' GLU . 0.0 OUTLIER -128.65 127.07 41.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.9 179.916 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 13.8 tp -131.85 123.6 27.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.917 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 56.6 t -111.63 148.73 14.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.137 179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 49.0 t -136.83 105.34 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.118 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 46.7 mtp180 -84.07 155.86 22.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 64.09 48.99 2.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.43 HD22 HD21 ' A' ' 91' ' ' LEU . 85.9 mt -53.92 152.41 5.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.915 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 84.3 mtm180 -143.86 151.87 54.08 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.601 0.715 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -2.43 10.16 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.696 2.264 . . . . 0.0 112.322 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 90.5 mt-30 -106.13 -26.45 11.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.1 -39.99 88.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.839 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 50.5 p -45.6 101.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.838 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -133.06 -120.41 2.12 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.504 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 19.7 ttm180 -129.0 94.3 3.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.851 0.358 . . . . 0.0 110.929 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.405 ' CE2' ' CG ' ' A' ' 43' ' ' TYR . 75.9 m-85 -87.83 103.88 16.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 -179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 82.7 p -117.36 145.22 44.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.834 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.9 t -118.2 110.53 17.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.858 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 70.6 m -97.63 127.95 43.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -162.75 109.63 1.23 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.863 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 91.99 -105.08 3.25 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.447 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -126.63 -41.08 1.88 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.798 0.332 . . . . 0.0 110.85 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.7 mp0 -84.85 152.66 23.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 83.1 m -144.85 136.21 25.23 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.918 HG21 ' HB1' ' A' ' 14' ' ' ALA . 10.2 t -116.96 161.63 19.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.156 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 76.6 p -141.66 151.65 43.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.857 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -141.35 174.5 10.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.079 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 15.8 m -134.73 150.78 50.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.138 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.43 HD21 HD22 ' A' ' 70' ' ' LEU . 54.4 tp -115.81 136.47 53.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.903 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 40.0 m -103.46 112.0 24.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.188 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 59.9 t -122.79 108.7 22.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.164 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.455 ' HB ' HD12 ' A' ' 21' ' ' LEU . 27.1 m -90.49 135.73 33.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.103 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -61.76 121.7 13.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.084 179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.434 ' CD2' ' HD2' ' A' ' 97' ' ' PRO . 13.8 mt -40.21 152.9 0.21 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.609 0.719 . . . . 0.0 110.906 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 98' ' ' SER . 53.1 Cg_endo -69.84 2.61 3.42 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.687 2.258 . . . . 0.0 112.305 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 97' ' ' PRO . 5.2 t -34.8 116.31 0.32 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 154.75 -160.15 29.45 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.472 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 110.4 2.54 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.68 2.254 . . . . 0.0 112.318 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 43.6 m -129.7 144.22 51.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.838 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 8.0 t -90.29 108.78 19.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.887 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.494 179.994 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -138.22 129.55 27.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.876 0.37 . . . . 0.0 110.83 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.8 t -43.07 -49.52 6.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.848 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.65 77.23 1.67 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.484 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.6 t -107.31 -53.2 2.65 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.864 0.364 . . . . 0.0 110.806 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.7 p -68.2 140.12 56.08 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.884 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.67 146.01 9.73 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.448 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 175.21 8.4 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.668 2.245 . . . . 0.0 112.335 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.558 HG13 ' HB3' ' A' ' 33' ' ' SER . 89.6 t -104.86 137.44 34.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.09 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 55.9 mtt-85 -104.98 149.91 25.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.864 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.43 ' HB3' ' HB2' ' A' ' 14' ' ' ALA . 8.3 m-85 -74.94 104.9 5.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.87 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.48 ' HG3' ' N ' ' A' ' 13' ' ' GLU . 1.8 pt20 -83.86 -36.54 23.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.931 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.48 ' N ' ' HG3' ' A' ' 12' ' ' GLN . 8.2 mm-40 -134.97 50.87 2.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.43 ' HB2' ' HB3' ' A' ' 11' ' ' PHE . . . -45.47 165.98 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.123 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.525 HD22 ' HB3' ' A' ' 28' ' ' LEU . 6.6 mt -54.0 173.89 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.929 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.503 ' O ' ' CD1' ' A' ' 18' ' ' LEU . 32.8 mtmt -154.41 134.48 13.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.912 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -40.11 119.21 1.0 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.861 179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.503 ' CD1' ' O ' ' A' ' 16' ' ' LYS . 3.0 mp -110.06 164.47 12.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.907 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -128.07 122.74 32.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.555 HG11 ' CD1' ' A' ' 70' ' ' LEU . 97.3 t -141.72 155.31 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.127 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.72 HD23 ' N ' ' A' ' 22' ' ' GLU . 4.4 tt -90.06 147.55 23.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.938 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.72 ' N ' HD23 ' A' ' 21' ' ' LEU . 5.5 pt-20 -60.54 142.63 55.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.52 37.84 8.58 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.477 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -149.25 -141.86 3.5 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.544 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -142.19 141.23 32.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.818 0.342 . . . . 0.0 111.09 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -112.89 116.87 30.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.086 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 25.3 m -102.31 113.21 26.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.802 HD13 HD23 ' A' ' 65' ' ' LEU . 5.1 mp -92.88 142.06 27.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.936 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 55.6 mtt180 -126.38 147.6 49.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 27.1 p -172.78 127.93 0.49 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.925 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.476 HG13 ' O ' ' A' ' 61' ' ' ALA . 59.7 t -103.37 146.71 10.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.132 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.803 HD22 ' CE2' ' A' ' 82' ' ' PHE . 8.8 mt -103.89 148.24 26.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.935 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.558 ' HB3' HG13 ' A' ' 9' ' ' VAL . 3.6 t -38.23 -43.55 0.79 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.826 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 81.7 p -139.26 172.32 12.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.887 -179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.61 HG13 ' O ' ' A' ' 60' ' ' GLY . 53.8 t -75.49 95.96 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.146 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -124.73 135.33 52.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.059 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.866 ' HB1' ' HA ' ' A' ' 38' ' ' PRO . . . -175.07 167.45 1.9 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.576 0.703 . . . . 0.0 111.106 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.866 ' HA ' ' HB1' ' A' ' 37' ' ' ALA . 54.4 Cg_endo -69.71 -179.52 19.3 Favored 'Cis proline' 0 C--N 1.341 0.169 0 C-N-CA 122.699 -1.792 . . . . 0.0 112.347 -0.021 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 27.1 m -120.33 176.16 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.108 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 39.5 tttt -126.58 124.82 40.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.529 ' CZ3' HD22 ' A' ' 65' ' ' LEU . 62.5 m95 -110.15 112.5 24.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 28.1 p -127.04 125.16 40.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.892 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -116.04 94.12 4.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.942 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 75.37 -152.56 43.43 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.488 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 23.2 m-20 -49.57 -58.96 4.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.827 0.346 . . . . 0.0 110.872 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -70.64 171.23 10.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.1 t -119.16 132.91 67.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.127 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 81.5 mt -68.33 118.88 12.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.923 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.2 mmm180 -114.01 145.98 34.71 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.599 0.714 . . . . 0.0 110.86 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 155.77 65.1 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.702 2.268 . . . . 0.0 112.318 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 150.89 -120.2 1.08 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.519 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -99.85 -43.93 6.24 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.83 0.348 . . . . 0.0 110.863 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.455 ' CG ' ' CE2' ' A' ' 54' ' ' TYR . 17.0 tptm -54.34 -53.59 51.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.455 ' CE2' ' CG ' ' A' ' 53' ' ' LYS . 12.8 m-85 -125.29 171.89 10.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.944 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 6.1 t -134.29 119.18 18.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.82 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 28.9 mt -113.19 93.52 4.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.953 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 20.2 ttp180 -102.46 118.09 36.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.937 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.432 ' NE2' ' HB2' ' A' ' 37' ' ' ALA . 36.3 tp60 -89.04 127.57 35.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.943 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -141.08 124.3 16.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.61 ' O ' HG13 ' A' ' 35' ' ' VAL . . . 41.73 -112.22 0.38 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.488 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.572 ' HB2' HG22 ' A' ' 35' ' ' VAL . . . -120.54 35.3 4.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.745 0.307 . . . . 0.0 111.083 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.467 ' CE ' HG23 ' A' ' 31' ' ' VAL . 5.1 ttm -137.23 143.13 42.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.869 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.605 HD21 HD11 ' A' ' 32' ' ' LEU . 3.2 mm? -106.95 151.07 25.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.894 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -135.82 124.15 23.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.802 HD23 HD13 ' A' ' 28' ' ' LEU . 4.5 tp -126.88 114.89 18.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.929 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 91.0 t -104.13 131.17 53.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.4 t -117.22 108.05 23.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.105 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 26.1 mtp85 -87.14 162.79 17.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.843 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 64.44 51.76 1.96 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.893 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.555 ' CD1' HG11 ' A' ' 20' ' ' VAL . 81.9 mt -64.53 153.92 37.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.872 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 26.0 mmm180 -147.36 156.64 46.02 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.577 0.703 . . . . 0.0 110.9 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -19.33 36.37 Favored 'Trans proline' 0 N--CA 1.465 -0.155 0 C-N-CA 122.709 2.273 . . . . 0.0 112.366 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 18.1 pm0 -102.26 -24.89 13.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.929 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -56.23 -37.99 70.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.614 ' OG ' HG23 ' A' ' 93' ' ' VAL . 15.7 m -40.39 112.42 0.28 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.842 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . -137.4 -141.35 4.21 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.486 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 18.8 ttp180 -116.71 101.94 9.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.785 0.326 . . . . 0.0 110.894 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -90.14 124.35 34.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 68.1 m -123.83 134.83 53.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.84 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 2.9 t -110.73 121.24 44.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.908 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 5.3 t -100.28 131.95 45.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.803 ' CE2' HD22 ' A' ' 32' ' ' LEU . 1.2 t80 -164.29 117.74 1.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 79.65 -115.58 4.11 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.488 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -113.93 -41.76 3.5 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.771 0.319 . . . . 0.0 110.904 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -82.65 159.05 22.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 38.8 m -145.82 117.72 8.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.177 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 14.8 t -94.42 156.28 16.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.163 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 97.8 p -141.29 136.52 31.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.851 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -134.91 175.22 9.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.064 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 96.1 m -128.21 144.45 51.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.116 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 21.5 tp -110.75 138.37 47.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.941 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 47.2 m -106.57 129.97 54.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.147 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.614 HG23 ' OG ' ' A' ' 75' ' ' SER . 52.7 t -126.3 123.06 62.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.171 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 25.4 m -93.04 129.22 39.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.146 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.45 ' O ' ' C ' ' A' ' 96' ' ' LEU . . . -75.5 124.54 27.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.078 179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.45 ' C ' ' O ' ' A' ' 95' ' ' ALA . 37.7 mt -34.43 148.39 0.1 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.609 0.718 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 144.24 53.4 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.69 2.26 . . . . 0.0 112.353 179.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 85.9 p -134.94 108.92 8.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.813 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -84.04 176.4 51.84 Favored Glycine 0 N--CA 1.45 -0.39 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.517 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -8.91 24.81 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.688 2.259 . . . . 0.0 112.324 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 8.9 t -77.56 -57.43 3.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' SER . . . . . . . . . . . . . 23.1 t -99.72 102.79 14.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.833 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.47 179.968 . . . . . . . . 0 0 . 1 stop_ save_