data_2dim_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 2dim _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.512 ' CE2' ' HG2' ' A' ' 50' ' ' ARG . 21.0 m95 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.736 0.303 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 14' ' ' ASN . 38.6 mmm-85 -109.36 147.64 32.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 13' ' ' ARG . 16.5 p-10 -34.73 -53.41 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.2 p -50.68 -61.19 2.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.422 ' HA ' ' CD2' ' A' ' 39' ' ' LEU . 56.9 mt-10 -47.41 -45.31 25.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.942 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.21 -45.76 90.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -55.82 -49.44 73.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.1 mt -64.54 -46.63 92.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.504 HD23 ' CH2' ' A' ' 12' ' ' TRP . 37.8 tp -59.69 -61.49 2.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -43.53 -47.52 7.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 25' ' ' MET . . . -64.36 -66.37 0.55 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -39.05 -55.67 1.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.089 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.556 HG22 ' CZ3' ' A' ' 32' ' ' TRP . 80.0 t -52.5 -33.95 18.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.152 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.448 ' N ' ' O ' ' A' ' 22' ' ' ALA . 12.6 mmt -76.34 -31.27 58.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.908 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.0 tttp -82.44 -63.61 1.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -72.9 -30.17 63.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.851 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.406 ' CA ' ' O ' ' A' ' 24' ' ' VAL . . . 104.06 174.49 25.45 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.49 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.411 ' HE3' ' CZ2' ' A' ' 51' ' ' TRP . 11.7 mttp -85.74 43.22 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.786 0.327 . . . . 0.0 110.877 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -131.29 -39.29 1.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.87 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -82.91 38.11 0.57 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.556 ' CZ3' HG22 ' A' ' 24' ' ' VAL . 56.9 m95 -52.04 -38.02 55.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.966 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 61.9 p -62.53 -51.79 66.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -60.12 -42.86 95.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.856 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 70.3 mt -57.92 -43.91 85.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.15 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.69 -41.14 42.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.08 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.9 m -54.82 -38.83 67.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 23.6 mt -55.47 -46.61 76.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.858 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.477 HD12 ' CH2' ' A' ' 12' ' ' TRP . 6.3 mt -90.65 139.43 30.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.535 ' CD2' ' HG3' ' A' ' 41' ' ' ARG . 2.8 p-80 -82.12 133.1 35.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.535 ' HG3' ' CD2' ' A' ' 40' ' ' HIS . 8.9 mtt-85 71.26 35.27 1.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.839 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.9 mmtm -131.53 154.5 48.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 37.4 p -141.55 163.19 33.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.852 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -43.92 -42.78 6.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.064 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.14 -48.35 80.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -66.14 -54.62 23.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.938 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 88.4 m -52.36 -43.78 64.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.8 tttm -70.19 -42.27 72.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.902 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.22 -65.23 0.7 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.512 ' HG2' ' CE2' ' A' ' 12' ' ' TRP . 5.9 tpt180 -45.04 -40.26 6.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.539 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 34.1 t-105 -63.62 -71.57 0.17 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -54.6 -21.71 11.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.966 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -64.79 -59.62 4.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.92 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 5.3 m95 -123.85 -42.5 2.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.928 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.539 ' O ' ' CD2' ' A' ' 51' ' ' TRP . 0.9 OUTLIER -82.83 89.23 6.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.421 ' CG ' ' HD2' ' A' ' 57' ' ' PRO . 7.8 t70 -168.13 139.84 2.36 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.594 0.711 . . . . 0.0 110.841 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.421 ' HD2' ' CG ' ' A' ' 56' ' ' ASP . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.168 0 C-N-CA 122.674 2.249 . . . . 0.0 112.314 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.541 ' CZ3' ' HB3' ' A' ' 16' ' ' GLU . 6.9 m95 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.751 0.31 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.9 mmt180 -126.76 146.41 50.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.888 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -42.67 -47.17 5.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 36.5 p -58.72 -51.65 69.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.541 ' HB3' ' CZ3' ' A' ' 12' ' ' TRP . 21.1 mt-10 -53.98 -42.87 69.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.86 -46.34 88.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -61.61 -53.5 55.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 21.9 mt -58.07 -47.35 87.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.152 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.466 ' CD1' HG22 ' A' ' 35' ' ' ILE . 21.7 tp -60.47 -60.76 3.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.8 mtpp -41.75 -50.58 4.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.36 -59.59 5.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.098 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 26' ' ' LYS . . . -42.31 -55.06 3.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.091 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 59.6 t -45.15 -35.19 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.6 mmt -78.0 -27.98 49.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.538 ' HD2' ' CD1' ' A' ' 27' ' ' TYR . 6.2 tmtt? -84.05 -63.88 1.27 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.538 ' CD1' ' HD2' ' A' ' 26' ' ' LYS . 36.1 m-85 -73.56 -35.07 65.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 108.87 176.7 21.63 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.482 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 43.0 mttp -87.53 28.02 1.03 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.864 0.364 . . . . 0.0 110.948 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -124.69 -30.19 3.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -85.07 30.32 0.6 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 51.5 m95 -47.58 -37.85 13.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 69.9 m -62.89 -50.92 69.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.862 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 38.5 ttt85 -62.72 -46.88 86.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.466 HG22 ' CD1' ' A' ' 20' ' ' LEU . 86.7 mt -49.0 -50.16 14.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -44.68 -42.78 7.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.092 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.1 t -50.39 -41.47 52.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.4 mt -55.19 -50.58 69.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.423 ' CD2' ' HA ' ' A' ' 16' ' ' GLU . 6.8 mt -84.16 136.04 34.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.441 ' CD2' ' HG3' ' A' ' 41' ' ' ARG . 2.2 p-80 -83.72 138.07 33.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.441 ' HG3' ' CD2' ' A' ' 40' ' ' HIS . 40.3 mtt-85 69.46 39.31 1.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.47 ' HE2' ' CE2' ' A' ' 12' ' ' TRP . 44.2 mmtm -140.54 171.91 13.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.3 t -151.54 164.67 36.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -46.02 -54.75 7.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.075 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.7 tmtm? -46.62 -53.14 12.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -60.25 -50.53 73.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 69.1 m -53.18 -38.39 62.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 42.8 tttm -74.69 -40.17 61.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.415 ' O ' ' CG ' ' A' ' 53' ' ' GLU . . . -70.02 -64.56 0.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.494 ' HG2' ' CE2' ' A' ' 12' ' ' TRP . 6.6 tpt180 -44.72 -39.07 4.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.506 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 29.3 t-105 -66.58 -73.12 0.14 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -54.45 -17.78 3.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.953 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.415 ' CG ' ' O ' ' A' ' 49' ' ' ALA . 4.7 mm-40 -68.71 -55.87 9.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 4.2 m95 -127.94 -38.46 1.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.506 ' O ' ' CD2' ' A' ' 51' ' ' TRP . 1.4 mt -83.85 91.84 7.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.42 ' CG ' ' HD2' ' A' ' 57' ' ' PRO . 14.1 t70 -173.37 140.13 0.86 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.6 0.714 . . . . 0.0 110.831 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.42 ' HD2' ' CG ' ' A' ' 56' ' ' ASP . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.171 0 C-N-CA 122.676 2.25 . . . . 0.0 112.315 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.566 ' CE3' ' HB3' ' A' ' 16' ' ' GLU . 7.6 m95 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.769 0.319 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 14' ' ' ASN . 25.1 mtt180 -112.21 148.39 34.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 13' ' ' ARG . 9.7 p-10 -37.79 -53.83 1.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 40.7 p -54.81 -59.24 4.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.566 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 7.3 mm-40 -43.27 -43.55 4.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.888 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.52 -47.64 66.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -52.17 -42.47 63.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 21.3 mt -69.07 -53.49 25.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.191 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.411 HD22 ' CH2' ' A' ' 12' ' ' TRP . 27.8 tp -54.63 -63.73 1.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.2 mtpp -38.43 -56.24 1.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.09 -55.95 25.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.87 -51.15 42.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.094 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.466 ' CG1' ' HG3' ' A' ' 29' ' ' LYS . 98.8 t -56.41 -26.0 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.15 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 7.5 mmt -84.3 -27.18 28.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 59.8 tttt -87.36 -60.86 1.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -76.03 -31.23 58.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.9 169.69 26.27 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.519 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.466 ' HG3' ' CG1' ' A' ' 24' ' ' VAL . 14.8 mtmm -80.72 43.22 0.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.798 0.332 . . . . 0.0 110.861 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 50.9 m-80 -133.22 -38.12 0.96 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -83.68 49.5 1.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 64.1 m95 -63.44 -48.44 77.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 78.0 p -55.01 -34.83 63.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -79.34 -44.58 21.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 62.0 mt -55.91 -50.98 65.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.107 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -45.0 -36.73 3.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.131 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 46.8 t -56.72 -39.95 74.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.1 mt -54.33 -45.25 72.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.474 HD11 ' CH2' ' A' ' 12' ' ' TRP . 6.1 mt -89.8 133.17 34.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.506 ' CE1' ' HG2' ' A' ' 41' ' ' ARG . 16.0 t-80 -76.34 138.72 40.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.506 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 16.3 mmt180 65.21 33.21 9.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.834 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.455 ' HE3' ' NE1' ' A' ' 12' ' ' TRP . 34.2 mmtm -132.05 135.43 46.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.918 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 32.8 p -113.43 158.71 20.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -42.51 -44.43 4.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.147 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.7 tttt -55.66 -52.69 62.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.873 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -55.17 -40.05 70.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 64.6 m -64.6 -55.52 19.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 49.2 tttm -58.01 -49.88 75.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.61 -65.25 0.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.113 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.442 ' CZ ' ' HB2' ' A' ' 12' ' ' TRP . 10.3 tpt180 -46.8 -35.91 6.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.545 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 31.9 t-105 -68.59 -70.33 0.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -55.93 -19.24 11.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -67.4 -59.63 3.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 5.7 m95 -123.76 -41.69 2.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.545 ' O ' ' CD2' ' A' ' 51' ' ' TRP . 0.9 OUTLIER -82.32 88.96 6.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.423 ' CG ' ' HD2' ' A' ' 57' ' ' PRO . 8.3 t70 -170.47 139.81 1.45 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.621 0.724 . . . . 0.0 110.899 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.423 ' HD2' ' CG ' ' A' ' 56' ' ' ASP . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.186 0 C-N-CA 122.737 2.292 . . . . 0.0 112.326 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 9.7 m95 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.759 0.314 . . . . 0.0 110.944 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.434 ' O ' ' C ' ' A' ' 14' ' ' ASN . 29.0 mtm180 -106.77 143.67 34.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.434 ' C ' ' O ' ' A' ' 13' ' ' ARG . 2.5 p30 -35.12 -54.02 0.6 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 27.7 p -49.53 -57.66 6.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.14 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.442 ' HA ' ' CD2' ' A' ' 39' ' ' LEU . 43.1 mt-10 -53.51 -40.75 65.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.0 -49.18 73.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.832 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -55.21 -53.52 54.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 26.4 mt -55.25 -42.82 68.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.142 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 27.2 tp -65.59 -61.04 2.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -44.64 -59.39 2.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.99 -59.03 5.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.9 -50.56 8.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.13 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.443 HG23 ' CZ3' ' A' ' 32' ' ' TRP . 48.9 t -51.24 -34.81 15.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.105 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.4 mmt -77.06 -34.38 57.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.414 ' HE2' ' CZ ' ' A' ' 27' ' ' TYR . 51.1 tttt -78.81 -64.83 1.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.414 ' CZ ' ' HE2' ' A' ' 26' ' ' LYS . 55.0 m-85 -71.11 -32.02 68.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 105.13 -178.57 23.64 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.464 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 85.2 mttt -93.7 29.63 1.99 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -122.95 -33.67 3.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -85.76 37.29 0.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.443 ' CZ3' HG23 ' A' ' 24' ' ' VAL . 53.7 m95 -50.61 -39.95 51.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.6 p -63.11 -48.92 76.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 48.0 ttt85 -63.26 -44.9 93.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.845 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 79.6 mt -52.5 -49.92 41.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -46.99 -40.68 14.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.095 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.0 t -48.29 -42.05 29.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.846 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.5 mt -54.73 -45.53 74.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.923 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.442 ' CD2' ' HA ' ' A' ' 16' ' ' GLU . 7.9 mt -87.47 141.68 28.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.912 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.466 ' CD2' ' HG2' ' A' ' 41' ' ' ARG . 15.2 t-80 -83.62 134.35 34.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.466 ' HG2' ' CD2' ' A' ' 40' ' ' HIS . 12.3 mmm180 63.63 47.07 3.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 43.3 mmtm -143.14 134.96 26.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 17.7 m -116.23 160.75 20.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -41.78 -44.67 3.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.121 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.6 tptp -52.73 -46.54 67.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 -65.09 -54.42 30.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 68.5 m -51.18 -43.22 61.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.3 tttm -71.4 -37.47 71.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.42 -65.31 0.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.06 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -47.63 -37.14 12.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.55 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 38.5 t-105 -66.06 -69.18 0.32 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -57.41 -21.66 37.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -64.16 -58.48 6.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 5.2 m95 -125.9 -42.4 1.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.55 ' O ' ' CD2' ' A' ' 51' ' ' TRP . 0.9 OUTLIER -82.7 84.52 7.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 57' ' ' PRO . 0.8 OUTLIER -167.36 133.66 1.78 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.589 0.709 . . . . 0.0 110.85 179.879 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.402 ' N ' ' OD1' ' A' ' 56' ' ' ASP . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.17 0 C-N-CA 122.637 2.225 . . . . 0.0 112.346 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.535 ' CZ2' ' HD2' ' A' ' 42' ' ' LYS . 36.4 m95 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.777 0.322 . . . . 0.0 110.957 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.3 mmm180 -108.25 155.88 19.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.844 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -38.99 -56.14 1.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 14.0 p -55.1 -60.4 3.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.168 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -42.97 -38.8 2.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.62 -46.05 49.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -56.83 -35.5 68.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 27.6 mt -69.09 -41.88 81.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 21' ' ' LYS . 30.6 tp -60.71 -69.04 0.25 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.456 ' HD2' ' CD1' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -34.19 -57.14 0.49 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.836 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.86 -63.06 1.27 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.175 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -44.96 -53.2 7.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.099 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.408 HG23 ' CZ3' ' A' ' 32' ' ' TRP . 76.0 t -50.68 -32.32 10.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.14 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 12.1 mmt -77.38 -36.99 53.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.5 tttp -77.87 -62.85 1.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.923 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.448 ' CD2' ' HD3' ' A' ' 34' ' ' ARG . 70.8 m-85 -71.32 -30.06 65.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.864 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 100.13 170.28 29.6 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.438 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.466 ' HE3' ' CZ2' ' A' ' 51' ' ' TRP . 26.6 mttp -84.2 37.66 0.63 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.806 0.336 . . . . 0.0 110.875 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -130.3 -31.41 1.86 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -88.64 37.93 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.408 ' CZ3' HG23 ' A' ' 24' ' ' VAL . 48.3 m95 -49.28 -39.55 31.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 40.1 t -62.05 -47.59 84.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.85 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.448 ' HD3' ' CD2' ' A' ' 27' ' ' TYR . 26.3 ttt180 -66.52 -42.5 87.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.852 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.425 HG22 ' CD1' ' A' ' 20' ' ' LEU . 88.5 mt -56.1 -39.6 59.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.03 -43.56 91.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.092 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 58.3 m -49.03 -42.1 37.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.9 mt -55.03 -42.68 72.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.9 mt -91.57 125.32 36.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.504 ' CD2' ' HG2' ' A' ' 41' ' ' ARG . 56.8 t60 -70.33 134.31 47.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.912 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.504 ' HG2' ' CD2' ' A' ' 40' ' ' HIS . 26.4 mmm-85 67.25 43.11 2.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.859 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.535 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 23.3 mmtm -141.1 137.11 32.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.0 t -119.19 159.42 24.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -43.4 -41.93 4.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.075 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.2 tmtt? -56.1 -50.81 70.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -63.07 -44.16 96.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 69.3 m -59.21 -46.2 89.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.3 tttt -66.6 -47.64 72.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.8 -63.21 1.28 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.116 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.521 ' HG2' ' CD2' ' A' ' 12' ' ' TRP . 5.8 tpt180 -46.08 -39.38 9.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.52 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 24.5 t-105 -66.8 -74.22 0.12 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -53.14 -19.94 3.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.964 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -66.27 -55.79 14.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.837 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 4.6 m95 -127.93 -38.07 1.87 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.52 ' O ' ' CD2' ' A' ' 51' ' ' TRP . 1.3 mt -84.64 90.58 7.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.401 ' CG ' ' HD2' ' A' ' 57' ' ' PRO . 19.7 t70 -172.45 139.56 0.98 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.647 0.737 . . . . 0.0 110.85 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.401 ' HD2' ' CG ' ' A' ' 56' ' ' ASP . 53.7 Cg_endo . . . . . 0 C--N 1.342 0.217 0 C-N-CA 122.655 2.236 . . . . 0.0 112.348 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.555 ' CZ2' ' HD2' ' A' ' 42' ' ' LYS . 23.9 m95 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.773 0.321 . . . . 0.0 110.954 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 60.3 mtt180 -104.8 157.83 16.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -44.34 -47.95 9.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 44.6 p -57.81 -50.06 74.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.148 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -56.19 -41.93 76.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.82 -46.63 68.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -54.53 -47.17 73.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 27.0 mt -63.11 -44.44 99.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.419 HD12 ' CG2' ' A' ' 35' ' ' ILE . 37.0 tp -61.21 -59.18 5.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.3 mtmt -42.64 -59.3 1.96 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 25' ' ' MET . . . -57.11 -63.99 1.03 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.066 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -39.14 -52.11 1.9 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.081 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.556 HG23 ' CZ3' ' A' ' 32' ' ' TRP . 42.5 t -51.52 -37.78 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.087 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.423 ' N ' ' O ' ' A' ' 22' ' ' ALA . 18.1 mmt -74.69 -35.29 62.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.85 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -70.1 -62.34 1.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -78.42 -32.56 48.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.936 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.49 ' CA ' ' O ' ' A' ' 24' ' ' VAL . . . 107.78 170.75 21.78 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.427 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.0 mttp -81.67 41.27 0.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.832 0.348 . . . . 0.0 110.95 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 -132.05 -34.53 1.27 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -85.88 40.72 0.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.556 ' CZ3' HG23 ' A' ' 24' ' ' VAL . 52.8 m95 -54.81 -40.15 69.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 89.8 p -64.35 -39.79 94.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.95 -40.76 65.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.893 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.419 ' CG2' HD12 ' A' ' 20' ' ' LEU . 90.1 mt -58.47 -38.99 73.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.11 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.97 -41.94 71.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.128 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.1 m -51.82 -40.97 61.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.846 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.5 mt -55.75 -45.82 77.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.5 mt -87.03 123.29 31.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 17.5 t-160 -69.6 134.62 48.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 40.6 mtm-85 68.36 43.91 1.4 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.828 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.555 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 21.1 mmtm -139.49 170.48 15.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.1 t -153.6 161.28 42.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -42.48 -62.37 0.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.132 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.2 tptp -41.94 -52.17 4.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -59.31 -51.56 69.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 67.1 m -52.41 -48.35 65.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.0 tttm -64.23 -45.02 90.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.19 -64.34 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.047 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.516 ' HG2' ' CD2' ' A' ' 12' ' ' TRP . 8.3 tpt180 -47.31 -41.12 18.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.539 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 38.8 t-105 -63.24 -71.89 0.15 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.958 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -55.91 -20.55 16.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -64.76 -56.84 11.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.951 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.417 ' CD1' ' NH1' ' A' ' 50' ' ' ARG . 4.9 m95 -128.01 -41.2 1.63 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.952 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.539 ' O ' ' CD2' ' A' ' 51' ' ' TRP . 1.1 mt -81.76 90.44 6.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.912 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.413 ' CG ' ' HD2' ' A' ' 57' ' ' PRO . 9.6 t70 -173.33 140.28 0.87 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.581 0.705 . . . . 0.0 110.859 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.413 ' HD2' ' CG ' ' A' ' 56' ' ' ASP . 54.1 Cg_endo . . . . . 0 C--N 1.342 0.185 0 C-N-CA 122.63 2.22 . . . . 0.0 112.344 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.447 ' CE3' ' HB3' ' A' ' 16' ' ' GLU . 29.1 m95 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.798 0.333 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.7 mmt85 -105.7 157.34 17.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.838 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -40.38 -54.43 2.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 21.6 p -55.51 -59.67 4.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.447 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 6.7 mm-40 -42.94 -41.88 3.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -66.71 -44.71 80.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -56.52 -52.11 65.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.4 mt -53.28 -49.62 51.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 17.0 tp -62.9 -59.61 4.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.953 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -42.98 -53.33 4.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.93 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 25' ' ' MET . . . -60.08 -66.06 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.086 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -38.98 -51.66 1.8 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.555 HG22 ' CZ3' ' A' ' 32' ' ' TRP . 88.4 t -52.32 -38.18 24.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.165 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.42 ' N ' ' O ' ' A' ' 22' ' ' ALA . 8.0 mmt -70.28 -31.21 68.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.551 ' HD3' ' CE1' ' A' ' 27' ' ' TYR . 36.5 tttm -80.39 -66.06 0.93 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.858 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.551 ' CE1' ' HD3' ' A' ' 26' ' ' LYS . 4.3 m-85 -71.21 -29.19 64.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.912 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.465 ' CA ' ' O ' ' A' ' 24' ' ' VAL . . . 107.42 177.94 22.53 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.533 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.449 ' HG2' ' CG1' ' A' ' 24' ' ' VAL . 28.2 mttp -88.12 29.79 0.92 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.787 0.327 . . . . 0.0 110.898 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -123.16 -35.05 3.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -82.81 45.74 1.02 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.555 ' CZ3' HG22 ' A' ' 24' ' ' VAL . 60.8 m95 -58.4 -39.89 80.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.2 p -62.35 -47.14 85.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.7 ttt180 -64.2 -41.42 97.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 61.8 mt -60.73 -44.05 96.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.69 -44.5 66.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.136 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.8 m -46.36 -42.42 14.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.1 mt -53.18 -52.47 58.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.93 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.42 HD21 ' CD ' ' A' ' 16' ' ' GLU . 4.1 mt -80.34 130.88 35.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.48 ' CE1' ' HG2' ' A' ' 41' ' ' ARG . 31.3 t60 -74.61 133.68 42.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.48 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 1.5 mmp_? 68.11 38.06 2.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.84 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -132.33 147.52 52.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 62.1 m -127.16 165.56 19.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -50.14 -52.11 37.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.059 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.9 mmmt -48.58 -50.85 30.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.872 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -59.45 -46.0 90.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 66.9 m -59.06 -48.49 81.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.418 ' HD2' ' CD1' ' A' ' 32' ' ' TRP . 12.6 tttp -64.79 -46.4 82.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.4 ' O ' ' N ' ' A' ' 53' ' ' GLU . . . -63.5 -63.24 1.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.104 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 -47.64 -40.88 20.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.495 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 19.5 t-105 -67.03 -69.16 0.33 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -57.04 -18.09 12.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 49' ' ' ALA . 5.1 mm-40 -69.53 -55.05 11.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 4.3 m95 -126.78 -40.86 1.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.495 ' O ' ' CD2' ' A' ' 51' ' ' TRP . 1.3 mt -82.71 89.08 6.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.933 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -170.72 137.02 1.17 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.632 0.73 . . . . 0.0 110.859 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.341 0.182 0 C-N-CA 122.671 2.247 . . . . 0.0 112.375 -179.974 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.558 ' CE3' ' HB3' ' A' ' 16' ' ' GLU . 30.3 m95 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.756 0.312 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.7 mmm180 -100.56 157.58 16.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.828 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 -40.26 -54.24 2.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.2 p -54.55 -59.25 4.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.094 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.558 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 7.4 mm-40 -43.76 -44.62 6.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.939 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.72 -49.13 61.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -53.53 -46.68 70.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 46.1 mt -60.11 -49.41 84.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.132 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.459 HD13 ' CG2' ' A' ' 35' ' ' ILE . 22.8 tp -58.14 -65.75 0.59 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.456 ' C ' ' O ' ' A' ' 20' ' ' LEU . 9.7 mtmm -33.99 -52.22 0.44 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 25' ' ' MET . . . -68.27 -60.95 2.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.091 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -39.54 -52.1 2.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.094 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.566 HG22 ' CZ3' ' A' ' 32' ' ' TRP . 66.4 t -49.18 -37.73 10.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.414 ' N ' ' O ' ' A' ' 22' ' ' ALA . 16.2 mmt -77.94 -34.05 51.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.7 ttpt -69.15 -61.31 1.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -82.07 -34.45 29.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.937 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.486 ' CA ' ' O ' ' A' ' 24' ' ' VAL . . . 113.76 174.94 18.95 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.465 ' HG2' ' CG1' ' A' ' 24' ' ' VAL . 41.9 mttp -86.04 21.58 1.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.792 0.329 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -116.14 -33.35 5.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -86.47 45.58 1.26 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.566 ' CZ3' HG22 ' A' ' 24' ' ' VAL . 52.1 m95 -57.83 -38.32 75.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.5 m -62.28 -49.96 73.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.888 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 43.7 ttt180 -62.02 -43.24 99.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.459 ' CG2' HD13 ' A' ' 20' ' ' LEU . 76.2 mt -55.87 -42.17 69.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.144 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.34 -35.17 64.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.05 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.1 t -58.92 -39.23 80.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.9 mt -59.11 -43.18 91.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.945 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.1 mt -86.26 138.05 32.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.562 ' CD2' ' HG2' ' A' ' 41' ' ' ARG . 11.0 t-160 -84.11 133.89 34.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.562 ' HG2' ' CD2' ' A' ' 40' ' ' HIS . 15.3 mmm180 67.26 43.72 1.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.427 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 27.2 mmtt -139.66 161.27 37.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.2 t -142.54 163.16 33.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.881 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -47.51 -41.35 20.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.095 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.416 ' HD3' ' C ' ' A' ' 45' ' ' LYS . 1.2 tmtp? -56.84 -54.45 46.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.864 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 42.9 mm-40 -63.34 -46.96 84.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 61.8 m -56.57 -45.48 81.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.8 tttm -69.74 -43.41 72.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.943 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.17 -65.41 0.68 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.111 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.443 ' HG2' ' CE2' ' A' ' 12' ' ' TRP . 6.3 tpt180 -43.95 -40.94 4.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.552 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 31.3 t-105 -63.58 -70.05 0.24 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -56.95 -18.73 14.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.905 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -67.37 -56.29 10.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 6.3 m95 -127.81 -40.7 1.7 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.552 ' O ' ' CD2' ' A' ' 51' ' ' TRP . 0.8 OUTLIER -81.87 89.38 6.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -170.64 141.72 1.57 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.536 0.684 . . . . 0.0 110.886 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.149 0 C-N-CA 122.711 2.274 . . . . 0.0 112.348 -179.987 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.559 ' CE3' ' HB3' ' A' ' 16' ' ' GLU . 12.8 m95 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.763 0.316 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 14' ' ' ASN . 57.3 mtt180 -100.29 147.49 25.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 13' ' ' ARG . 0.6 OUTLIER -36.02 -55.24 0.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.91 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.5 p -50.79 -58.76 5.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.119 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.559 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 7.5 mm-40 -46.46 -49.94 17.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.14 -44.3 97.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -56.82 -56.01 27.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 21.5 mt -53.9 -44.33 60.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.1 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.451 HD11 ' CG2' ' A' ' 35' ' ' ILE . 21.2 tp -62.99 -58.1 8.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -42.03 -58.7 1.99 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.69 -64.78 0.7 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.102 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.67 -54.36 5.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.078 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.569 HG11 ' CH2' ' A' ' 51' ' ' TRP . 40.5 t -50.02 -29.13 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 6.4 mmt -82.69 -25.4 33.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.584 ' HD2' ' CE1' ' A' ' 27' ' ' TYR . 21.2 ttmt -91.96 -62.05 1.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.862 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.584 ' CE1' ' HD2' ' A' ' 26' ' ' LYS . 5.8 m-85 -72.85 -35.07 67.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.976 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 100.22 179.47 30.01 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.473 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.06 42.76 1.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.823 0.344 . . . . 0.0 110.866 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -132.79 -33.17 1.21 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.835 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -91.09 38.25 0.96 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 54.9 m95 -52.65 -36.67 57.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.7 m -60.0 -43.72 95.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.3 ttt-85 -71.64 -51.66 21.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.853 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.451 ' CG2' HD11 ' A' ' 20' ' ' LEU . 46.0 mt -43.84 -50.43 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.141 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -45.12 -38.39 5.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.092 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.9 t -53.9 -39.4 65.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.818 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 38.6 mt -60.19 -44.08 95.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.412 HD23 ' CD ' ' A' ' 16' ' ' GLU . 10.3 mt -87.24 150.84 23.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.424 ' CE1' ' HG2' ' A' ' 41' ' ' ARG . 13.6 t-80 -100.77 137.65 38.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.83 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.424 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 1.6 mmp_? 67.64 34.94 4.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.847 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -136.18 151.15 49.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 44' ' ' ALA . 73.2 m -126.84 153.61 45.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 43' ' ' SER . . . -37.44 -47.93 0.91 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.175 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -49.55 -57.06 7.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -55.68 -58.94 5.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 92.8 m -46.41 -39.81 11.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.4 tttm -70.36 -39.81 74.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.99 -65.29 0.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.098 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.509 ' HG2' ' CD2' ' A' ' 12' ' ' TRP . 6.4 tpt180 -43.29 -34.16 1.14 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.569 ' CH2' HG11 ' A' ' 24' ' ' VAL . 13.0 t-105 -74.01 -70.62 0.38 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.41 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 15.1 m-85 -57.16 -13.74 3.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.95 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.418 ' O ' ' CE3' ' A' ' 54' ' ' TRP . 14.8 mt-10 -75.65 -51.53 12.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.418 ' CE3' ' O ' ' A' ' 53' ' ' GLU . 4.9 m95 -127.85 -41.88 1.62 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.542 ' O ' ' CD2' ' A' ' 51' ' ' TRP . 0.9 OUTLIER -85.23 90.76 7.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.883 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.414 ' CG ' ' HD2' ' A' ' 57' ' ' PRO . 18.9 t70 -171.55 139.91 1.18 Allowed Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.612 0.72 . . . . 0.0 110.847 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.414 ' HD2' ' CG ' ' A' ' 56' ' ' ASP . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.173 0 C-N-CA 122.698 2.265 . . . . 0.0 112.323 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.544 ' CZ2' ' HD2' ' A' ' 42' ' ' LYS . 52.8 m95 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.788 0.328 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 53.8 mtt85 -127.31 164.87 20.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.835 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -44.65 -46.19 10.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 34.3 p -60.4 -56.43 21.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.184 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.447 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 41.8 mt-10 -48.66 -46.8 40.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.428 ' OD2' ' NH2' ' A' ' 50' ' ' ARG . 8.7 m-20 -60.1 -48.89 79.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -54.3 -54.44 40.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 26.5 mt -56.7 -58.49 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.13 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.416 HD22 ' CH2' ' A' ' 12' ' ' TRP . 22.8 tp -50.51 -55.31 16.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.959 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.9 mtpt -45.61 -53.23 9.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' A' ' 25' ' ' MET . . . -63.5 -60.92 2.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.105 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -38.98 -51.58 1.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.559 HG22 ' CH2' ' A' ' 32' ' ' TRP . 58.3 t -48.06 -39.54 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.404 ' N ' ' O ' ' A' ' 22' ' ' ALA . 10.1 mmt -76.74 -34.24 58.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.529 ' HD3' ' CE1' ' A' ' 27' ' ' TYR . 45.8 tttm -73.09 -64.26 1.01 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.529 ' CE1' ' HD3' ' A' ' 26' ' ' LYS . 86.5 m-85 -77.33 -31.99 54.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.495 ' CA ' ' O ' ' A' ' 24' ' ' VAL . . . 113.02 173.73 18.9 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.456 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.462 ' O ' ' NE1' ' A' ' 32' ' ' TRP . 43.1 mttt -86.62 18.62 3.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.8 0.333 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 -116.17 -29.79 6.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -83.71 39.06 0.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.559 ' CH2' HG22 ' A' ' 24' ' ' VAL . 54.9 m95 -55.38 -40.87 71.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.4 t -63.21 -48.36 78.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 35.1 ttt85 -64.4 -43.91 92.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.8 mt -55.62 -47.31 79.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -45.37 -43.86 11.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 54.5 m -47.57 -41.63 21.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.4 mt -56.03 -45.87 79.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.921 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.0 mt -86.45 131.46 34.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -76.65 134.16 39.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.856 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 27.1 mtm180 67.06 40.16 2.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.544 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 33.5 mmtm -138.16 138.26 38.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 44' ' ' ALA . 7.9 t -117.69 155.75 29.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 43' ' ' SER . . . -35.88 -59.99 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.068 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.5 tppt? -38.02 -61.79 0.62 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.416 ' N ' ' CD ' ' A' ' 46' ' ' GLN . 0.9 OUTLIER -47.71 -61.95 1.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 70.9 m -41.19 -43.51 2.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -72.58 -40.64 66.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.86 -65.29 0.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.522 ' HG2' ' CD2' ' A' ' 12' ' ' TRP . 6.5 tpt180 -43.55 -39.51 3.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.481 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 24.2 t-105 -66.11 -73.03 0.14 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.957 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -53.69 -19.2 3.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -67.76 -55.52 12.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 5.1 m95 -127.97 -40.22 1.71 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.943 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.481 ' O ' ' CD2' ' A' ' 51' ' ' TRP . 1.1 mt -83.15 93.09 7.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.427 ' CG ' ' HD2' ' A' ' 57' ' ' PRO . 10.6 t70 -173.75 139.94 0.8 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.667 0.746 . . . . 0.0 110.832 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.427 ' HD2' ' CG ' ' A' ' 56' ' ' ASP . 54.1 Cg_endo . . . . . 0 C--N 1.342 0.204 0 C-N-CA 122.68 2.253 . . . . 0.0 112.393 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.568 ' CZ2' ' HD2' ' A' ' 42' ' ' LYS . 62.4 m95 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.773 0.32 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 38.5 mtp85 -121.66 161.38 22.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.867 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -40.83 -39.64 1.17 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 26.1 p -66.51 -57.43 7.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.403 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 32.0 mt-10 -48.92 -43.21 39.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.72 -47.07 82.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -57.84 -49.38 76.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.902 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.9 mt -60.22 -56.14 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.101 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.1 tp -55.12 -58.3 8.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 49.0 mttt -42.47 -59.21 1.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.82 -61.13 2.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.095 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.07 -51.08 14.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.094 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.44 HG22 ' CZ3' ' A' ' 32' ' ' TRP . 55.1 t -51.96 -26.24 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.6 mmt -84.68 -28.62 26.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 19.2 tttp -88.24 -60.85 1.85 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -74.97 -30.8 61.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.66 177.87 32.41 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.472 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.434 ' HG3' ' CG1' ' A' ' 24' ' ' VAL . 0.8 OUTLIER -91.23 35.99 0.93 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.783 0.325 . . . . 0.0 110.891 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 -124.82 -32.04 3.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -91.41 38.62 0.98 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.44 ' CZ3' HG22 ' A' ' 24' ' ' VAL . 45.3 m95 -52.04 -36.01 48.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.946 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.8 m -62.96 -43.95 97.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 53.3 ttt180 -71.54 -52.11 19.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 71.7 mt -44.46 -49.13 2.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.119 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -45.89 -42.04 12.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.14 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.0 t -47.46 -40.41 18.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.7 mt -54.36 -47.15 72.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.1 mt -93.26 162.12 14.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.951 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.46 ' O ' ' N ' ' A' ' 42' ' ' LYS . 0.7 OUTLIER -104.74 172.75 6.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 179.887 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 24.5 mtt180 40.08 25.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.568 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 31.0 mmtt -122.98 158.78 29.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 44' ' ' ALA . 60.6 p -139.25 149.16 43.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.905 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 43' ' ' SER . . . -35.57 -44.54 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.44 -59.3 3.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 20.7 mm-40 -55.4 -57.89 10.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 87.4 m -45.49 -37.72 5.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 51.9 tttt -76.08 -41.65 49.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' A' ' 53' ' ' GLU . . . -74.67 -65.22 0.89 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.086 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.517 ' HG2' ' CE2' ' A' ' 12' ' ' TRP . 7.2 tpt180 -42.26 -39.29 2.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.548 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 14.1 t-105 -68.62 -71.86 0.2 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.43 ' CD1' ' CD1' ' A' ' 51' ' ' TRP . 15.4 m-85 -56.42 -13.61 2.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.93 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 49' ' ' ALA . 3.5 mm-40 -74.1 -54.64 7.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.885 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 4.6 m95 -127.08 -31.17 2.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.548 ' O ' ' CD2' ' A' ' 51' ' ' TRP . 1.1 mt -93.39 91.37 7.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -171.44 143.14 1.48 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.571 0.7 . . . . 0.0 110.868 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.157 0 C-N-CA 122.646 2.231 . . . . 0.0 112.352 -179.951 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.517 ' CE2' ' HG2' ' A' ' 50' ' ' ARG . 45.2 m95 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.797 0.332 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 14' ' ' ASN . 19.7 mtp180 -124.64 149.83 46.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.823 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.446 ' C ' ' O ' ' A' ' 13' ' ' ARG . 2.0 p-10 -34.71 -56.65 0.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 22.4 p -54.56 -65.18 0.62 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.144 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -39.35 -41.5 0.93 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.24 -45.3 85.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.835 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -57.82 -40.86 80.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 17.9 mt -65.39 -50.19 74.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.15 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 36.5 tp -54.66 -65.32 0.6 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.6 mtmm -39.81 -58.61 1.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.1 -61.65 2.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.136 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.91 -54.92 4.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.069 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.451 HG22 ' CH2' ' A' ' 32' ' ' TRP . 67.8 t -50.89 -33.11 12.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.143 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 8.6 mmt -78.11 -26.55 48.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -88.93 -65.05 1.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -69.45 -35.03 75.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 103.67 -175.14 23.21 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.475 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.6 mttm -91.7 37.58 0.97 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.837 0.351 . . . . 0.0 110.892 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -128.78 -37.87 1.72 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -85.25 42.38 0.94 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.451 ' CH2' HG22 ' A' ' 24' ' ' VAL . 52.5 m95 -57.65 -37.53 73.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.936 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 54.5 p -63.01 -50.78 69.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -60.66 -47.54 85.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 77.4 mt -47.84 -50.23 9.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.107 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.16 -35.25 16.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.5 t -56.15 -37.81 70.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.3 mt -60.2 -46.83 88.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.947 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.8 mt -83.68 157.95 22.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.464 ' CE1' ' HE ' ' A' ' 41' ' ' ARG . 16.8 t-160 -100.75 132.99 45.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.834 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.464 ' HE ' ' CE1' ' A' ' 40' ' ' HIS . 39.2 mtt180 66.52 34.24 6.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.738 ' HZ3' ' NE2' ' A' ' 46' ' ' GLN . 39.4 mmtt -139.08 123.16 17.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.3 t -104.32 174.11 6.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -48.08 -52.13 21.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.086 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.5 mmmt -47.06 -59.09 3.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.738 ' NE2' ' HZ3' ' A' ' 42' ' ' LYS . 73.5 mt-30 -55.91 -49.83 72.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 65.2 m -53.56 -42.41 67.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.89 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.0 tttm -72.64 -39.4 67.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.51 -63.81 1.01 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.107 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.517 ' HG2' ' CE2' ' A' ' 12' ' ' TRP . 5.3 tpt180 -51.16 -38.3 51.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.551 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 20.2 t-105 -67.34 -69.17 0.33 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -57.32 -21.64 36.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.925 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -64.65 -54.57 29.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 4.3 m95 -127.84 -41.49 1.65 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.551 ' O ' ' CD2' ' A' ' 51' ' ' TRP . 1.0 OUTLIER -80.38 88.85 5.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.958 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -174.96 139.22 0.62 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.657 0.741 . . . . 0.0 110.835 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.342 0.186 0 C-N-CA 122.667 2.244 . . . . 0.0 112.339 -179.963 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.569 ' CZ2' ' HD2' ' A' ' 42' ' ' LYS . 17.1 m95 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.766 0.317 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 36.1 mtm-85 -118.49 160.03 22.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.878 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 26.7 p-10 -46.69 -51.55 15.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.6 p -57.13 -58.15 9.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.47 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 6.9 mm-40 -45.31 -39.47 6.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -67.28 -46.5 73.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -54.69 -46.72 74.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 20.2 mt -62.32 -46.14 97.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 37.1 tp -60.43 -58.01 10.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.8 mtmt -45.0 -52.99 8.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.22 -60.67 3.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.075 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -44.41 -46.87 9.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.104 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.556 HG23 ' CZ3' ' A' ' 32' ' ' TRP . 80.8 t -55.37 -32.38 29.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.151 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 11.9 mmt -78.98 -33.87 44.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.3 tttt -81.03 -63.92 1.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -71.26 -33.18 69.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 105.83 174.6 23.78 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.521 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.1 mttt -88.83 30.68 0.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.766 0.317 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 -126.39 -28.86 3.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -89.66 40.32 0.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.556 ' CZ3' HG23 ' A' ' 24' ' ' VAL . 51.2 m95 -52.76 -37.2 59.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.6 m -63.22 -50.33 70.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.847 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.7 ttt85 -63.07 -46.22 88.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 89.4 mt -51.02 -44.59 28.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.16 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.62 -41.13 41.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.079 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 30.9 t -52.11 -39.97 60.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.6 mt -58.86 -44.79 91.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.5 mt -87.04 133.99 33.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 13.8 t-160 -82.12 133.5 35.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.9 mmm180 68.66 41.06 1.71 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.569 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 21.4 mmtt -141.24 148.27 39.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.964 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 45.0 t -127.03 160.71 30.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.794 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -42.96 -43.58 4.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.132 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.422 ' HD3' ' C ' ' A' ' 45' ' ' LYS . 11.2 tmtt? -51.56 -58.62 5.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.926 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 17.2 mp0 -58.14 -46.26 85.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 84.0 m -55.85 -44.65 78.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.2 tttt -69.47 -49.45 54.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.62 -65.24 0.71 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.044 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.513 ' HG2' ' CD2' ' A' ' 12' ' ' TRP . 10.4 tpt180 -40.23 -43.61 1.72 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.543 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 28.3 t-105 -63.73 -70.9 0.19 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -56.21 -15.1 3.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -72.33 -55.56 6.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.438 ' CD1' ' NH1' ' A' ' 50' ' ' ARG . 5.4 m95 -127.8 -38.98 1.83 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.543 ' O ' ' CD2' ' A' ' 51' ' ' TRP . 1.0 OUTLIER -85.08 90.6 7.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -166.79 142.41 3.63 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.634 0.731 . . . . 0.0 110.828 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.342 0.23 0 C-N-CA 122.645 2.23 . . . . 0.0 112.344 -179.984 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.567 ' CZ2' ' HD2' ' A' ' 42' ' ' LYS . 32.9 m95 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.756 0.313 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.7 mtt85 -113.31 163.22 15.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -50.07 -46.77 53.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.0 p -60.38 -50.29 74.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.154 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.505 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 7.1 mm-40 -52.51 -40.91 62.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.66 -41.6 83.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -59.88 -45.77 91.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 31.7 mt -64.24 -49.04 82.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.09 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 31.3 tp -59.36 -59.49 5.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.6 mtpp -41.69 -55.57 2.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.81 -59.35 5.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.12 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -44.82 -53.66 7.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.07 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.43 HG23 ' CH2' ' A' ' 32' ' ' TRP . 73.8 t -49.74 -29.56 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.096 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 7.6 mmt -81.49 -35.76 30.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.511 ' HD3' ' CE1' ' A' ' 27' ' ' TYR . 24.5 tttt -78.75 -61.3 2.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.511 ' CE1' ' HD3' ' A' ' 26' ' ' LYS . 56.6 m-85 -73.56 -29.81 62.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.912 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 101.28 175.66 28.83 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.524 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.1 mtpt -89.59 36.05 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.794 0.33 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -127.62 -33.77 2.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -86.58 39.49 0.84 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.43 ' CH2' HG23 ' A' ' 24' ' ' VAL . 56.4 m95 -52.67 -37.18 58.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 85.1 p -63.24 -48.38 78.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.835 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.9 ttt-85 -66.67 -48.26 69.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 83.0 mt -48.25 -44.12 12.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.19 -43.83 67.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.4 t -48.85 -41.36 32.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 20.6 mt -54.54 -50.39 68.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.3 mt -82.03 137.04 35.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.518 ' CE1' ' NH1' ' A' ' 41' ' ' ARG . 17.4 t-160 -81.22 134.95 35.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.518 ' NH1' ' CE1' ' A' ' 40' ' ' HIS . 27.3 mtm-85 65.8 42.7 3.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.567 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 20.9 mmtp -141.32 146.64 36.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 58.2 m -126.08 165.75 18.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.83 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -49.51 -43.99 45.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.09 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -50.76 -58.01 6.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.868 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -60.07 -47.38 86.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.913 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 68.9 m -54.16 -39.75 66.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.0 tttm -75.15 -47.92 26.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.5 -63.88 0.99 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.137 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.418 ' NH2' ' HB3' ' A' ' 12' ' ' TRP . 5.5 tpt180 -42.15 -42.38 2.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.865 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.511 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 8.3 t-105 -66.86 -70.74 0.23 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.476 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 46.8 m-85 -54.62 -16.19 2.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.947 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -72.82 -54.76 7.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.847 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 5.3 m95 -125.7 -37.1 2.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.511 ' O ' ' CD2' ' A' ' 51' ' ' TRP . 1.0 OUTLIER -86.93 86.26 7.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -164.13 136.29 3.77 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.6 0.714 . . . . 0.0 110.853 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.146 0 C-N-CA 122.738 2.292 . . . . 0.0 112.311 -179.984 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.433 ' CE2' ' HG2' ' A' ' 50' ' ' ARG . 9.2 m95 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.745 0.307 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.3 mtm180 -94.33 149.28 21.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.863 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -44.6 -47.13 10.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 25.7 p -56.42 -56.51 20.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -53.15 -42.29 65.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.846 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -64.46 -44.55 90.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -59.27 -46.43 88.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 35.1 mt -65.25 -44.33 95.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.097 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 43.1 tp -59.87 -62.39 1.91 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.5 mtmt -41.43 -52.58 3.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.98 -63.97 1.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.127 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.86 -47.91 8.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.421 ' CG1' ' HG3' ' A' ' 29' ' ' LYS . 53.3 t -55.06 -31.76 26.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 21.8 mmt -80.23 -33.35 38.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.6 tttp -77.96 -62.51 1.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -75.84 -34.29 60.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.42 173.07 20.18 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.491 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.421 ' HG3' ' CG1' ' A' ' 24' ' ' VAL . 3.4 mtmp? -85.31 28.68 0.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.816 0.341 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -126.49 -28.05 3.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.417 ' NE2' ' HE ' ' A' ' 34' ' ' ARG . 7.0 mm100 -87.13 37.32 0.76 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.58 ' CD1' ' HE3' ' A' ' 48' ' ' LYS . 57.1 m95 -50.06 -63.59 1.07 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.4 t -40.9 -41.51 1.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.86 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.417 ' HE ' ' NE2' ' A' ' 31' ' ' GLN . 14.5 ttm-85 -68.64 -42.01 78.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 71.9 mt -64.97 -52.27 55.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -40.38 -43.44 1.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.104 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 30.0 t -51.14 -40.83 59.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 16.3 mt -55.23 -47.41 75.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.7 mt -87.37 152.14 22.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.463 ' CE1' ' HG3' ' A' ' 41' ' ' ARG . 10.0 t-160 -92.93 140.95 28.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.463 ' HG3' ' CE1' ' A' ' 40' ' ' HIS . 24.5 mtm180 62.24 41.37 10.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -140.91 141.09 34.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 44' ' ' ALA . 40.8 t -124.53 155.65 38.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.83 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 43' ' ' SER . . . -36.01 -51.72 0.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.141 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.416 ' HD2' ' C ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -46.11 -56.55 5.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -53.82 -56.94 13.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 67.0 m -46.43 -46.2 18.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.58 ' HE3' ' CD1' ' A' ' 32' ' ' TRP . 7.8 ttmt -64.82 -53.61 44.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.07 -65.28 0.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.086 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.433 ' HG2' ' CE2' ' A' ' 12' ' ' TRP . 10.1 tpt180 -44.1 -38.2 3.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.858 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.542 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 40.6 t-105 -65.99 -67.79 0.42 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -59.19 -16.45 20.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.966 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -70.21 -56.71 6.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.844 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.402 ' CD1' ' NH1' ' A' ' 50' ' ' ARG . 5.7 m95 -128.04 -40.71 1.66 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.542 ' O ' ' CD2' ' A' ' 51' ' ' TRP . 0.8 OUTLIER -84.41 85.24 7.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.953 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.454 ' OD1' ' N ' ' A' ' 57' ' ' PRO . 1.2 t0 -165.78 133.17 2.25 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.622 0.725 . . . . 0.0 110.837 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.454 ' N ' ' OD1' ' A' ' 56' ' ' ASP . 53.5 Cg_endo . . . . . 0 C--N 1.342 0.219 0 C-N-CA 122.646 2.231 . . . . 0.0 112.318 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.507 ' CD2' ' HG2' ' A' ' 50' ' ' ARG . 57.0 m95 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.787 0.327 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 14' ' ' ASN . 15.4 mmm180 -112.48 154.56 25.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 13' ' ' ARG . 10.6 p-10 -36.21 -55.93 0.77 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 36.2 p -55.83 -63.84 1.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.144 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.425 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 7.1 mm-40 -39.21 -43.64 1.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.849 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.18 -46.2 78.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -56.28 -49.99 72.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.6 mt -56.83 -57.17 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.139 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 13.4 tp -51.05 -58.62 5.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.8 mttm -39.98 -59.83 1.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 25' ' ' MET . . . -56.12 -61.4 2.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.059 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -38.96 -56.02 1.46 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.075 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.419 HG23 ' CZ3' ' A' ' 32' ' ' TRP . 61.9 t -50.95 -34.99 14.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.099 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.434 ' N ' ' O ' ' A' ' 22' ' ' ALA . 6.4 mmt -76.83 -29.65 56.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 48.5 tttt -85.33 -65.09 1.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -69.05 -32.92 72.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.55 170.67 26.75 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.528 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -82.64 40.26 0.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.836 0.35 . . . . 0.0 110.924 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -132.07 -37.09 1.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.948 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -85.3 39.1 0.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.419 ' CZ3' HG23 ' A' ' 24' ' ' VAL . 52.7 m95 -52.14 -40.92 62.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.889 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.1 t -64.26 -44.08 92.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.5 ttt85 -67.61 -38.21 83.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.849 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 85.7 mt -60.72 -44.85 98.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.161 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.52 -45.15 56.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.147 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.9 m -47.87 -41.21 23.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.0 mt -55.55 -45.78 77.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.9 mt -87.61 153.03 21.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.514 ' CE1' ' HG3' ' A' ' 41' ' ' ARG . 9.7 t-160 -96.65 139.14 33.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.514 ' HG3' ' CE1' ' A' ' 40' ' ' HIS . 31.4 mtm180 63.21 33.29 14.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -137.03 132.72 34.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.5 t -116.73 165.15 13.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -41.19 -42.91 2.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.086 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -57.24 -46.78 82.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -64.75 -54.52 30.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 90.0 m -54.95 -43.58 73.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.2 tttt -68.71 -39.31 80.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.83 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.11 -65.27 0.75 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.098 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.507 ' HG2' ' CD2' ' A' ' 12' ' ' TRP . 7.2 tpt180 -46.13 -34.75 4.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.548 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 41.2 t-105 -69.55 -73.15 0.16 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -54.11 -20.74 7.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.938 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -64.97 -61.71 2.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.864 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 4.2 m95 -122.67 -39.58 2.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.548 ' O ' ' CD2' ' A' ' 51' ' ' TRP . 1.1 mt -85.06 89.75 7.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.94 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.415 ' CG ' ' HD2' ' A' ' 57' ' ' PRO . 16.0 t70 -171.09 140.42 1.3 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.581 0.705 . . . . 0.0 110.88 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.415 ' HD2' ' CG ' ' A' ' 56' ' ' ASP . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.153 0 C-N-CA 122.695 2.263 . . . . 0.0 112.364 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.519 ' CD2' ' HG2' ' A' ' 50' ' ' ARG . 10.7 m95 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.733 0.301 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -128.71 149.17 50.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.868 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.4 p-10 -43.67 -43.7 5.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.9 p -63.06 -41.37 99.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.2 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.483 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 40.5 mt-10 -63.11 -33.16 74.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.471 ' HB3' ' CE ' ' A' ' 21' ' ' LYS . 0.7 OUTLIER -73.4 -45.45 54.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.813 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -53.78 -44.31 69.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 20.9 mt -67.53 -47.25 81.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 40.1 tp -58.35 -66.75 0.44 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.471 ' CE ' ' HB3' ' A' ' 17' ' ' ASP . 28.1 mtmt -37.18 -61.61 0.56 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.3 -63.72 1.03 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.098 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -42.45 -57.53 2.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 98.9 t -50.69 -30.94 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.139 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.5 mmt -80.61 -27.05 37.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.9 tttm -87.15 -61.84 1.63 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.915 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.42 ' HB3' ' NE2' ' A' ' 31' ' ' GLN . 4.3 m-85 -73.74 -31.81 63.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.33 176.14 27.51 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.499 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 40.8 mttt -84.26 39.81 0.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.8 0.333 . . . . 0.0 110.926 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 -133.15 -36.69 1.0 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . 0.42 ' NE2' ' HB3' ' A' ' 27' ' ' TYR . 21.5 mt-30 -84.15 40.14 0.75 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 53.9 m95 -53.42 -64.09 0.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.1 t -40.35 -45.86 2.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.3 ttm-85 -64.46 -50.4 67.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 44.5 mt -50.01 -44.51 21.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.085 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.91 -35.21 44.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.159 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.8 t -56.2 -39.25 72.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.812 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 26.5 mt -58.28 -45.18 88.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.967 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.3 mt -87.96 139.93 30.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.959 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -83.28 137.61 33.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? 63.99 41.78 6.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.514 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 35.0 mmtm -138.91 137.78 36.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 44' ' ' ALA . 23.0 t -120.0 155.8 32.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 43' ' ' SER . . . -36.46 -53.19 0.86 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.127 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 35.2 tptt -46.02 -50.12 15.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -60.21 -58.19 9.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 90.1 m -46.33 -42.77 15.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.7 tttp -69.01 -45.34 70.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.61 -65.35 0.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.106 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.519 ' HG2' ' CD2' ' A' ' 12' ' ' TRP . 7.0 tpt180 -48.0 -35.28 10.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.553 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 29.9 t-105 -70.24 -70.41 0.3 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -58.41 -14.36 7.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.942 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -70.95 -58.67 3.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.932 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 4.7 m95 -123.81 -41.26 2.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.553 ' O ' ' CD2' ' A' ' 51' ' ' TRP . 1.0 OUTLIER -84.5 88.05 7.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.942 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.418 ' CG ' ' HD2' ' A' ' 57' ' ' PRO . 12.2 t70 -174.96 139.79 0.63 Allowed Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.63 0.728 . . . . 0.0 110.882 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.418 ' HD2' ' CG ' ' A' ' 56' ' ' ASP . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.225 0 C-N-CA 122.661 2.241 . . . . 0.0 112.386 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 19.0 m95 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.784 0.326 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 21.2 mtm180 -107.61 152.15 24.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -38.35 -55.32 1.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.6 p -51.11 -67.11 0.28 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.139 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -39.19 -40.36 0.72 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -69.76 -44.88 69.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.86 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -58.51 -47.36 84.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.6 mt -61.08 -47.69 92.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.139 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 26.2 tp -59.26 -63.91 1.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.922 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 44.1 mtmt -41.46 -52.24 3.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.49 -60.35 3.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.08 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -42.66 -53.77 4.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.079 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 50.0 t -49.85 -31.1 6.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.142 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 8.4 mmt -80.97 -27.63 35.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.1 tttp -90.1 -63.8 1.23 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -71.32 -31.31 67.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 101.24 170.79 28.31 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.485 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.3 mttp -84.68 17.02 2.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.783 0.325 . . . . 0.0 110.867 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -116.4 -8.88 11.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -108.33 34.29 3.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 56.0 m95 -50.07 -50.48 47.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.7 t -50.83 -35.86 34.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.821 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 24.6 ttt85 -79.08 -43.49 24.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.5 mt -56.96 -43.88 81.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.189 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.31 -41.56 65.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.085 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.7 t -54.81 -38.64 67.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 17.2 mt -58.28 -42.18 86.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.8 mt -88.1 148.35 24.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.443 ' CE1' HH11 ' A' ' 41' ' ' ARG . 12.0 t-160 -89.01 131.85 35.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.443 HH11 ' CE1' ' A' ' 40' ' ' HIS . 66.9 mtm-85 66.47 42.94 2.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -141.67 154.57 45.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 42.7 m -140.7 158.81 43.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -38.67 -43.37 0.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.117 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.2 -56.57 17.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -60.61 -49.76 76.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 92.4 m -52.59 -43.58 65.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.2 tttm -69.47 -41.03 76.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.3 -65.13 0.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -45.95 -38.72 7.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.831 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.544 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 36.9 t-105 -64.41 -68.56 0.34 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -57.91 -20.73 39.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.943 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -65.05 -57.37 8.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 7.6 m95 -127.31 -42.66 1.67 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.544 ' O ' ' CD2' ' A' ' 51' ' ' TRP . 0.7 OUTLIER -81.67 84.99 6.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -167.51 132.54 1.6 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.573 0.701 . . . . 0.0 110.888 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.135 0 C-N-CA 122.698 2.265 . . . . 0.0 112.345 -179.977 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.567 ' CE3' ' HB3' ' A' ' 16' ' ' GLU . 21.7 m95 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.754 0.311 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 41.0 mtp180 -111.12 163.81 13.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -47.56 -44.84 26.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 21.0 p -61.96 -60.44 3.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.141 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.567 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 6.5 mm-40 -43.49 -45.06 6.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.829 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -65.11 -42.37 94.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -58.73 -51.33 70.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.9 mt -58.35 -50.61 77.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.134 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.424 HD12 ' CG2' ' A' ' 35' ' ' ILE . 18.8 tp -58.74 -60.34 3.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.3 mtpp -40.62 -59.73 1.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.918 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 25' ' ' MET . . . -52.75 -62.91 1.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.061 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -39.11 -55.19 1.66 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.115 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.552 HG22 ' CZ3' ' A' ' 32' ' ' TRP . 92.4 t -51.56 -36.86 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.417 ' N ' ' O ' ' A' ' 22' ' ' ALA . 29.8 mmt -73.08 -31.97 64.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.567 ' HD3' ' CE1' ' A' ' 27' ' ' TYR . 43.5 tttm -82.26 -66.03 0.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.567 ' CE1' ' HD3' ' A' ' 26' ' ' LYS . 4.8 m-85 -69.42 -31.89 70.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.937 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.415 ' CA ' ' O ' ' A' ' 24' ' ' VAL . . . 105.34 175.32 24.23 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.482 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.0 mttt -84.89 36.36 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.812 0.339 . . . . 0.0 110.883 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -130.97 -32.26 1.64 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -86.26 39.93 0.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.552 ' CZ3' HG22 ' A' ' 24' ' ' VAL . 58.3 m95 -54.97 -41.43 71.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 34.8 p -57.92 -51.15 70.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.3 ttt85 -60.52 -51.89 67.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.424 ' CG2' HD12 ' A' ' 20' ' ' LEU . 78.1 mt -45.37 -47.45 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.147 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.31 -36.08 30.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.103 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.6 t -54.37 -41.46 69.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 24.5 mt -57.12 -49.13 76.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.932 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.409 HD23 ' CD ' ' A' ' 16' ' ' GLU . 7.6 mt -86.22 137.94 32.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.54 ' CD2' ' HG3' ' A' ' 41' ' ' ARG . 1.2 p-80 -84.88 142.22 29.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.54 ' HG3' ' CD2' ' A' ' 40' ' ' HIS . 39.2 mtt180 64.52 37.07 8.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.528 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 22.9 mmtm -134.84 154.08 51.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.8 m -138.08 159.41 42.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.859 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -40.94 -43.27 2.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.116 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.59 -56.33 22.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -59.55 -46.56 88.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 63.8 m -57.32 -47.77 80.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.9 tttt -66.09 -44.79 83.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.945 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.7 -63.01 1.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.102 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.507 ' HG2' ' CD2' ' A' ' 12' ' ' TRP . 10.1 tpt180 -47.81 -40.72 21.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.508 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 38.8 t-105 -64.36 -71.84 0.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -56.19 -19.26 12.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -66.34 -56.69 9.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 4.2 m95 -127.96 -41.07 1.65 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.508 ' O ' ' CD2' ' A' ' 51' ' ' TRP . 1.4 mt -81.39 91.5 6.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.908 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -173.92 140.91 0.82 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.594 0.712 . . . . 0.0 110.86 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 N--CA 1.465 -0.152 0 C-N-CA 122.708 2.272 . . . . 0.0 112.367 -179.973 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.556 ' CZ2' ' HD2' ' A' ' 42' ' ' LYS . 28.6 m95 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.78 0.324 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.2 mtp180 -119.62 157.43 28.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -43.49 -47.06 7.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.1 p -63.07 -59.85 4.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.426 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 7.3 mm-40 -44.25 -44.33 7.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.89 -48.53 68.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -51.47 -47.57 63.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.0 mt -62.12 -48.28 89.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.108 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.47 HD13 ' CG2' ' A' ' 35' ' ' ILE . 32.9 tp -58.12 -57.15 14.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.8 mtmt -44.65 -67.02 0.32 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -48.11 -60.69 2.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.133 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.23 -50.66 6.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.078 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . 0.569 HG22 ' CZ3' ' A' ' 32' ' ' TRP . 47.9 t -55.29 -30.19 24.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.114 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 1.5 mtp -79.18 -36.98 39.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.561 ' HD3' ' CE1' ' A' ' 27' ' ' TYR . 36.1 tttp -75.07 -58.35 3.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.561 ' CE1' ' HD3' ' A' ' 26' ' ' LYS . 5.9 m-85 -80.94 -20.33 42.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.883 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.496 ' CA ' ' O ' ' A' ' 24' ' ' VAL . . . 96.83 -174.47 30.38 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt -96.33 25.14 5.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.809 0.338 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -112.32 -37.28 5.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -84.51 51.04 2.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.569 ' CZ3' HG22 ' A' ' 24' ' ' VAL . 56.6 m95 -62.92 -43.54 98.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.9 p -57.53 -50.8 71.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.817 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.0 ttt180 -60.67 -49.82 75.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.47 ' CG2' HD13 ' A' ' 20' ' ' LEU . 78.6 mt -48.9 -42.99 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.079 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.73 -41.7 74.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.07 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.7 t -49.96 -42.14 48.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.3 mt -54.1 -49.36 69.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.933 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.416 HD22 ' CD ' ' A' ' 16' ' ' GLU . 7.0 mt -84.21 130.93 34.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.514 ' CE1' ' HG2' ' A' ' 41' ' ' ARG . 42.2 t60 -74.67 136.39 41.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.514 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 1.7 mmp_? 66.31 40.65 3.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.828 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.556 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 42.9 mmtm -135.24 145.85 48.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 44' ' ' ALA . 72.5 p -129.52 148.88 51.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.903 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 43' ' ' SER . . . -34.95 -46.51 0.31 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.091 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -49.54 -58.27 5.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -59.49 -44.03 93.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.889 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 62.4 m -57.19 -42.36 81.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -71.97 -43.44 65.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 53' ' ' GLU . . . -66.53 -63.99 0.95 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.413 ' CZ ' ' HB2' ' A' ' 12' ' ' TRP . 10.5 tpt180 -44.58 -41.36 6.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.462 ' NE1' ' OD1' ' A' ' 56' ' ' ASP . 21.5 t-105 -66.07 -72.93 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.953 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -55.18 -16.18 2.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.914 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 49' ' ' ALA . 16.6 mm-40 -71.13 -54.05 12.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 4.6 m95 -128.03 -41.43 1.62 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.923 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . 0.455 ' O ' ' CD2' ' A' ' 51' ' ' TRP . 1.2 mt -82.64 94.03 7.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.952 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.462 ' OD1' ' NE1' ' A' ' 51' ' ' TRP . 5.4 t70 -174.84 140.81 0.68 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.539 0.685 . . . . 0.0 110.888 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.415 ' HD2' ' CG ' ' A' ' 56' ' ' ASP . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.135 0 C-N-CA 122.699 2.266 . . . . 0.0 112.329 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.7 p -128.38 164.03 23.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.842 0.354 . . . . 0.0 110.883 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.8 t -54.31 139.78 35.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.47 -166.75 32.84 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.494 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.7 p -128.92 -54.54 1.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.893 0.378 . . . . 0.0 110.867 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.7 p -68.76 152.16 45.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.882 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.99 178.62 38.43 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.494 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -78.42 101.97 7.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.819 0.343 . . . . 0.0 110.903 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 10' ' ' GLY . . . 53.53 54.29 30.97 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.452 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 9' ' ' GLY . . . -34.38 147.17 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.487 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.416 ' O ' ' CD1' ' A' ' 12' ' ' TRP . 35.5 m -58.87 176.37 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.818 0.342 . . . . 0.0 111.165 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.512 ' CE2' ' HG2' ' A' ' 50' ' ' ARG . 21.0 m95 -152.48 137.85 17.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 14' ' ' ASN . 38.6 mmm-85 -109.36 147.64 32.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 13' ' ' ARG . 16.5 p-10 -34.73 -53.41 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.2 p -50.68 -61.19 2.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.422 ' HA ' ' CD2' ' A' ' 39' ' ' LEU . 56.9 mt-10 -47.41 -45.31 25.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.942 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.21 -45.76 90.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -55.82 -49.44 73.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.1 mt -64.54 -46.63 92.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.504 HD23 ' CH2' ' A' ' 12' ' ' TRP . 37.8 tp -59.69 -61.49 2.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -43.53 -47.52 7.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 25' ' ' MET . . . -64.36 -66.37 0.55 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -39.05 -55.67 1.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.089 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.556 HG22 ' CZ3' ' A' ' 32' ' ' TRP . 80.0 t -52.5 -33.95 18.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.152 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.448 ' N ' ' O ' ' A' ' 22' ' ' ALA . 12.6 mmt -76.34 -31.27 58.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.908 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.0 tttp -82.44 -63.61 1.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 5.1 m-85 -72.9 -30.17 63.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.851 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.406 ' CA ' ' O ' ' A' ' 24' ' ' VAL . . . 104.06 174.49 25.45 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.49 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.411 ' HE3' ' CZ2' ' A' ' 51' ' ' TRP . 11.7 mttp -85.74 43.22 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.786 0.327 . . . . 0.0 110.877 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -131.29 -39.29 1.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.87 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -82.91 38.11 0.57 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.556 ' CZ3' HG22 ' A' ' 24' ' ' VAL . 56.9 m95 -52.04 -38.02 55.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.966 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 61.9 p -62.53 -51.79 66.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -60.12 -42.86 95.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.856 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 70.3 mt -57.92 -43.91 85.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.15 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.69 -41.14 42.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.08 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.9 m -54.82 -38.83 67.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 23.6 mt -55.47 -46.61 76.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.858 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.477 HD12 ' CH2' ' A' ' 12' ' ' TRP . 6.3 mt -90.65 139.43 30.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.535 ' CD2' ' HG3' ' A' ' 41' ' ' ARG . 2.8 p-80 -82.12 133.1 35.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.535 ' HG3' ' CD2' ' A' ' 40' ' ' HIS . 8.9 mtt-85 71.26 35.27 1.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.839 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.9 mmtm -131.53 154.5 48.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 37.4 p -141.55 163.19 33.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.852 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -43.92 -42.78 6.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.064 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.14 -48.35 80.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -66.14 -54.62 23.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.938 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 88.4 m -52.36 -43.78 64.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.8 tttm -70.19 -42.27 72.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.902 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.22 -65.23 0.7 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.512 ' HG2' ' CE2' ' A' ' 12' ' ' TRP . 5.9 tpt180 -45.04 -40.26 6.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.539 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 34.1 t-105 -63.62 -71.57 0.17 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -54.6 -21.71 11.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.966 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -64.79 -59.62 4.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.92 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.412 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 5.3 m95 -123.85 -42.5 2.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.928 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.539 ' O ' ' CD2' ' A' ' 51' ' ' TRP . 0.9 OUTLIER -82.83 89.23 6.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.421 ' CG ' ' HD2' ' A' ' 57' ' ' PRO . 7.8 t70 -168.13 139.84 2.36 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.594 0.711 . . . . 0.0 110.841 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.421 ' HD2' ' CG ' ' A' ' 56' ' ' ASP . 53.5 Cg_endo -69.82 -50.51 0.45 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.674 2.249 . . . . 0.0 112.314 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.6 t -38.86 -39.34 0.51 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.847 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.43 HG23 ' N ' ' A' ' 60' ' ' LYS . 70.3 mt -40.23 140.34 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.111 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.43 ' N ' HG23 ' A' ' 59' ' ' ILE . 34.7 mtmt -75.83 88.17 2.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.443 ' HA ' ' CE ' ' A' ' 61' ' ' LYS . 2.0 mmpt? -106.26 152.62 23.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 69.0 p -68.49 142.61 55.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.137 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -113.86 81.94 1.61 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.84 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 12.6 m95 41.57 41.78 1.77 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 44.2 p -161.46 125.04 3.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -103.24 -94.63 2.3 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.492 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 101.16 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.626 2.217 . . . . 0.0 112.351 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.8 m -117.52 137.82 52.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.853 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 77.0 p -66.71 161.66 22.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.516 -179.941 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.1 m -73.93 -54.07 8.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.898 0.38 . . . . 0.0 110.851 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -163.06 136.87 5.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.85 57.47 0.44 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.486 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.4 m -120.61 112.12 18.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.861 0.363 . . . . 0.0 110.869 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.5 t -48.21 -64.07 0.9 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.822 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.27 -63.95 0.61 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.48 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.5 mmtm -137.76 165.39 26.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.819 0.343 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.422 ' HA3' ' CD ' ' A' ' 46' ' ' GLN . . . -112.7 -33.3 2.08 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.495 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 9' ' ' GLY . . . -35.1 -56.37 0.87 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.473 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.442 HG23 ' N ' ' A' ' 12' ' ' TRP . 6.7 p -63.15 143.92 15.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.796 0.331 . . . . 0.0 111.101 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.541 ' CZ3' ' HB3' ' A' ' 16' ' ' GLU . 6.9 m95 -145.51 174.91 10.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.9 mmt180 -126.76 146.41 50.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.888 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -42.67 -47.17 5.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 36.5 p -58.72 -51.65 69.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.541 ' HB3' ' CZ3' ' A' ' 12' ' ' TRP . 21.1 mt-10 -53.98 -42.87 69.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.86 -46.34 88.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -61.61 -53.5 55.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 21.9 mt -58.07 -47.35 87.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.152 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.466 ' CD1' HG22 ' A' ' 35' ' ' ILE . 21.7 tp -60.47 -60.76 3.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.8 mtpp -41.75 -50.58 4.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.36 -59.59 5.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.098 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 26' ' ' LYS . . . -42.31 -55.06 3.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.091 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 59.6 t -45.15 -35.19 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.6 mmt -78.0 -27.98 49.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.538 ' HD2' ' CD1' ' A' ' 27' ' ' TYR . 6.2 tmtt? -84.05 -63.88 1.27 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.538 ' CD1' ' HD2' ' A' ' 26' ' ' LYS . 36.1 m-85 -73.56 -35.07 65.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 108.87 176.7 21.63 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.482 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 43.0 mttp -87.53 28.02 1.03 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.864 0.364 . . . . 0.0 110.948 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -124.69 -30.19 3.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -85.07 30.32 0.6 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 51.5 m95 -47.58 -37.85 13.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 69.9 m -62.89 -50.92 69.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.862 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 38.5 ttt85 -62.72 -46.88 86.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.466 HG22 ' CD1' ' A' ' 20' ' ' LEU . 86.7 mt -49.0 -50.16 14.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -44.68 -42.78 7.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.092 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.1 t -50.39 -41.47 52.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.4 mt -55.19 -50.58 69.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.423 ' CD2' ' HA ' ' A' ' 16' ' ' GLU . 6.8 mt -84.16 136.04 34.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.441 ' CD2' ' HG3' ' A' ' 41' ' ' ARG . 2.2 p-80 -83.72 138.07 33.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.441 ' HG3' ' CD2' ' A' ' 40' ' ' HIS . 40.3 mtt-85 69.46 39.31 1.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.47 ' HE2' ' CE2' ' A' ' 12' ' ' TRP . 44.2 mmtm -140.54 171.91 13.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.3 t -151.54 164.67 36.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -46.02 -54.75 7.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.075 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.7 tmtm? -46.62 -53.14 12.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.422 ' CD ' ' HA3' ' A' ' 9' ' ' GLY . 11.8 mm100 -60.25 -50.53 73.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 69.1 m -53.18 -38.39 62.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 42.8 tttm -74.69 -40.17 61.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.415 ' O ' ' CG ' ' A' ' 53' ' ' GLU . . . -70.02 -64.56 0.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.494 ' HG2' ' CE2' ' A' ' 12' ' ' TRP . 6.6 tpt180 -44.72 -39.07 4.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.506 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 29.3 t-105 -66.58 -73.12 0.14 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -54.45 -17.78 3.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.953 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.415 ' CG ' ' O ' ' A' ' 49' ' ' ALA . 4.7 mm-40 -68.71 -55.87 9.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.451 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 4.2 m95 -127.94 -38.46 1.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.506 ' O ' ' CD2' ' A' ' 51' ' ' TRP . 1.4 mt -83.85 91.84 7.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.42 ' CG ' ' HD2' ' A' ' 57' ' ' PRO . 14.1 t70 -173.37 140.13 0.86 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.6 0.714 . . . . 0.0 110.831 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.42 ' HD2' ' CG ' ' A' ' 56' ' ' ASP . 53.4 Cg_endo -69.84 -48.15 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.676 2.25 . . . . 0.0 112.315 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.3 t -41.55 -40.52 1.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.451 ' CD1' ' O ' ' A' ' 54' ' ' TRP . 85.2 mt -37.9 141.13 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.096 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.3 ptmt -90.08 83.11 6.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -108.38 -55.48 2.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.0 t -146.59 163.16 36.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.146 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -67.4 158.33 31.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 15.7 m-90 -57.77 108.08 0.53 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.916 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.7 p -75.71 -50.72 14.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.82 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 112.63 142.75 8.61 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.526 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -36.75 10.2 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.702 2.268 . . . . 0.0 112.328 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.1 t -80.76 43.8 0.7 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.9 m -93.82 136.87 33.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.484 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.9 m -96.09 121.41 37.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.879 0.371 . . . . 0.0 110.859 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.6 m 52.08 46.23 26.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.32 116.13 0.74 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.479 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.1 m -73.98 84.24 1.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.841 0.353 . . . . 0.0 110.869 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 m -119.56 79.91 1.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.8 73.13 0.43 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.43 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.1 mtmm -88.54 -52.38 5.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.786 0.326 . . . . 0.0 110.892 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.428 ' HA2' ' NE2' ' A' ' 46' ' ' GLN . . . 113.94 85.8 1.4 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.467 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -176.58 -58.5 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.468 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.5 p -69.85 146.16 12.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.795 0.331 . . . . 0.0 111.163 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.566 ' CE3' ' HB3' ' A' ' 16' ' ' GLU . 7.6 m95 -142.88 154.9 44.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 14' ' ' ASN . 25.1 mtt180 -112.21 148.39 34.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 13' ' ' ARG . 9.7 p-10 -37.79 -53.83 1.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 40.7 p -54.81 -59.24 4.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.566 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 7.3 mm-40 -43.27 -43.55 4.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.888 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.52 -47.64 66.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -52.17 -42.47 63.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 21.3 mt -69.07 -53.49 25.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.191 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.411 HD22 ' CH2' ' A' ' 12' ' ' TRP . 27.8 tp -54.63 -63.73 1.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.2 mtpp -38.43 -56.24 1.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.09 -55.95 25.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.87 -51.15 42.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.094 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.466 ' CG1' ' HG3' ' A' ' 29' ' ' LYS . 98.8 t -56.41 -26.0 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.15 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 7.5 mmt -84.3 -27.18 28.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 59.8 tttt -87.36 -60.86 1.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -76.03 -31.23 58.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.9 169.69 26.27 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.519 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.466 ' HG3' ' CG1' ' A' ' 24' ' ' VAL . 14.8 mtmm -80.72 43.22 0.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.798 0.332 . . . . 0.0 110.861 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 50.9 m-80 -133.22 -38.12 0.96 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -83.68 49.5 1.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 64.1 m95 -63.44 -48.44 77.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 78.0 p -55.01 -34.83 63.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 -179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -79.34 -44.58 21.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 62.0 mt -55.91 -50.98 65.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.107 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -45.0 -36.73 3.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.131 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 46.8 t -56.72 -39.95 74.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.1 mt -54.33 -45.25 72.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.474 HD11 ' CH2' ' A' ' 12' ' ' TRP . 6.1 mt -89.8 133.17 34.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.506 ' CE1' ' HG2' ' A' ' 41' ' ' ARG . 16.0 t-80 -76.34 138.72 40.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.506 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 16.3 mmt180 65.21 33.21 9.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.834 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.455 ' HE3' ' NE1' ' A' ' 12' ' ' TRP . 34.2 mmtm -132.05 135.43 46.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.918 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 32.8 p -113.43 158.71 20.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -42.51 -44.43 4.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.147 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.7 tttt -55.66 -52.69 62.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.873 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.428 ' NE2' ' HA2' ' A' ' 9' ' ' GLY . 10.3 mt-30 -55.17 -40.05 70.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 64.6 m -64.6 -55.52 19.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 49.2 tttm -58.01 -49.88 75.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.61 -65.25 0.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.113 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.442 ' CZ ' ' HB2' ' A' ' 12' ' ' TRP . 10.3 tpt180 -46.8 -35.91 6.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.545 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 31.9 t-105 -68.59 -70.33 0.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -55.93 -19.24 11.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -67.4 -59.63 3.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.477 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 5.7 m95 -123.76 -41.69 2.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.545 ' O ' ' CD2' ' A' ' 51' ' ' TRP . 0.9 OUTLIER -82.32 88.96 6.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.423 ' CG ' ' HD2' ' A' ' 57' ' ' PRO . 8.3 t70 -170.47 139.81 1.45 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.621 0.724 . . . . 0.0 110.899 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.423 ' HD2' ' CG ' ' A' ' 56' ' ' ASP . 53.8 Cg_endo -69.75 -49.4 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.737 2.292 . . . . 0.0 112.326 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 22.7 t -40.31 -38.1 0.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.824 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.477 ' CD1' ' O ' ' A' ' 54' ' ' TRP . 59.6 mt -40.61 141.61 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.433 ' N ' HG23 ' A' ' 59' ' ' ILE . 1.4 ptmm? -91.51 44.73 1.19 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 179.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.9 tttp -100.39 157.84 16.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 63' ' ' GLU . 4.2 t -49.96 -31.33 12.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.182 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 62' ' ' THR . 0.8 OUTLIER 37.82 38.59 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.459 ' CG ' ' N ' ' A' ' 65' ' ' SER . 5.4 p90 -45.14 -42.85 9.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.93 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.459 ' N ' ' CG ' ' A' ' 64' ' ' TRP . 54.6 m -52.57 -44.53 65.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -115.27 83.08 0.33 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.491 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -2.09 9.6 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.718 2.279 . . . . 0.0 112.333 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 68.5 m -40.38 -58.64 1.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.838 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.3 m -95.54 126.43 40.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.424 -179.977 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -157.12 107.93 2.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.887 0.375 . . . . 0.0 110.861 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.2 t -154.86 132.23 11.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.58 -97.7 0.12 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.495 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.7 t -131.22 -43.37 1.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.882 0.372 . . . . 0.0 110.896 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 m -58.17 131.86 51.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.836 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.85 102.35 2.15 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.483 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.6 pttt -132.33 -42.67 0.96 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.862 0.363 . . . . 0.0 110.923 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 10' ' ' GLY . . . 172.48 -38.85 0.16 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.53 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 9' ' ' GLY . . . -35.15 -70.48 0.18 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.467 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.496 ' O ' ' CD1' ' A' ' 12' ' ' TRP . 27.7 m -67.7 159.63 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.778 0.323 . . . . 0.0 111.124 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.496 ' CD1' ' O ' ' A' ' 11' ' ' VAL . 9.7 m95 -152.28 139.83 19.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.944 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.434 ' O ' ' C ' ' A' ' 14' ' ' ASN . 29.0 mtm180 -106.77 143.67 34.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.434 ' C ' ' O ' ' A' ' 13' ' ' ARG . 2.5 p30 -35.12 -54.02 0.6 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 27.7 p -49.53 -57.66 6.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.14 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.442 ' HA ' ' CD2' ' A' ' 39' ' ' LEU . 43.1 mt-10 -53.51 -40.75 65.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.0 -49.18 73.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.832 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -55.21 -53.52 54.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 26.4 mt -55.25 -42.82 68.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.142 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 27.2 tp -65.59 -61.04 2.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -44.64 -59.39 2.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.99 -59.03 5.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.9 -50.56 8.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.13 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.443 HG23 ' CZ3' ' A' ' 32' ' ' TRP . 48.9 t -51.24 -34.81 15.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.105 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.4 mmt -77.06 -34.38 57.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.414 ' HE2' ' CZ ' ' A' ' 27' ' ' TYR . 51.1 tttt -78.81 -64.83 1.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.414 ' CZ ' ' HE2' ' A' ' 26' ' ' LYS . 55.0 m-85 -71.11 -32.02 68.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 105.13 -178.57 23.64 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.464 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 85.2 mttt -93.7 29.63 1.99 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -122.95 -33.67 3.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -85.76 37.29 0.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.443 ' CZ3' HG23 ' A' ' 24' ' ' VAL . 53.7 m95 -50.61 -39.95 51.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.6 p -63.11 -48.92 76.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 48.0 ttt85 -63.26 -44.9 93.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.845 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 79.6 mt -52.5 -49.92 41.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -46.99 -40.68 14.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.095 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.0 t -48.29 -42.05 29.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.846 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.5 mt -54.73 -45.53 74.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.923 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.442 ' CD2' ' HA ' ' A' ' 16' ' ' GLU . 7.9 mt -87.47 141.68 28.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.912 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.466 ' CD2' ' HG2' ' A' ' 41' ' ' ARG . 15.2 t-80 -83.62 134.35 34.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.466 ' HG2' ' CD2' ' A' ' 40' ' ' HIS . 12.3 mmm180 63.63 47.07 3.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 43.3 mmtm -143.14 134.96 26.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 17.7 m -116.23 160.75 20.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -41.78 -44.67 3.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.121 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.6 tptp -52.73 -46.54 67.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.412 ' CD ' ' HA3' ' A' ' 9' ' ' GLY . 20.1 mm-40 -65.09 -54.42 30.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 68.5 m -51.18 -43.22 61.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.3 tttm -71.4 -37.47 71.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.42 -65.31 0.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.06 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -47.63 -37.14 12.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.55 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 38.5 t-105 -66.06 -69.18 0.32 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -57.41 -21.66 37.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -64.16 -58.48 6.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.462 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 5.2 m95 -125.9 -42.4 1.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.55 ' O ' ' CD2' ' A' ' 51' ' ' TRP . 0.9 OUTLIER -82.7 84.52 7.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 58' ' ' SER . 0.8 OUTLIER -167.36 133.66 1.78 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.589 0.709 . . . . 0.0 110.85 179.879 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.402 ' N ' ' OD1' ' A' ' 56' ' ' ASP . 53.4 Cg_endo -69.77 -42.86 3.02 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.637 2.225 . . . . 0.0 112.346 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.49 ' N ' ' OD1' ' A' ' 56' ' ' ASP . 40.0 t -51.29 -30.76 19.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.462 ' CD1' ' O ' ' A' ' 54' ' ' TRP . 91.8 mt -39.16 147.65 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.091 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.0 mtpp -93.22 102.43 14.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.935 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 70.3 mttt -152.53 169.05 23.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.916 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 42.4 p -128.53 97.42 4.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.14 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -47.67 165.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 26.2 m-90 -140.97 117.83 11.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 83.3 p -57.52 154.16 11.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -79.07 -65.89 1.76 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.505 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.415 ' HG2' ' C ' ' A' ' 70' ' ' GLY . 53.8 Cg_endo -69.76 121.09 7.78 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.685 2.257 . . . . 0.0 112.315 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 45.3 m -61.77 -44.39 96.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 23.3 t -76.27 -53.86 7.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.883 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.415 ' C ' ' HG2' ' A' ' 67' ' ' PRO . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.464 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.3 p -96.75 42.2 1.09 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.878 0.37 . . . . 0.0 110.851 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.9 p -117.3 133.9 55.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.88 170.15 41.37 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.522 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 m -128.36 -50.76 1.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.882 0.373 . . . . 0.0 110.857 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.9 t -94.34 41.95 1.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.917 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.64 -170.66 35.24 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.501 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.5 mmtt -75.73 129.2 36.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.847 0.356 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -142.2 74.09 0.35 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.516 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.71 -161.71 0.4 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.509 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.51 ' O ' ' CD1' ' A' ' 12' ' ' TRP . 33.4 m -106.01 165.64 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.829 0.347 . . . . 0.0 111.131 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.535 ' CZ2' ' HD2' ' A' ' 42' ' ' LYS . 36.4 m95 -155.69 131.94 10.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.957 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.3 mmm180 -108.25 155.88 19.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.844 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -38.99 -56.14 1.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 14.0 p -55.1 -60.4 3.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.168 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -42.97 -38.8 2.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.62 -46.05 49.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -56.83 -35.5 68.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 27.6 mt -69.09 -41.88 81.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.442 ' O ' ' C ' ' A' ' 21' ' ' LYS . 30.6 tp -60.71 -69.04 0.25 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.456 ' HD2' ' CD1' ' A' ' 55' ' ' LEU . 0.0 OUTLIER -34.19 -57.14 0.49 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.836 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.86 -63.06 1.27 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.175 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -44.96 -53.2 7.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.099 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.408 HG23 ' CZ3' ' A' ' 32' ' ' TRP . 76.0 t -50.68 -32.32 10.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.14 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 12.1 mmt -77.38 -36.99 53.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.5 tttp -77.87 -62.85 1.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.923 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.448 ' CD2' ' HD3' ' A' ' 34' ' ' ARG . 70.8 m-85 -71.32 -30.06 65.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.864 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 100.13 170.28 29.6 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.438 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.466 ' HE3' ' CZ2' ' A' ' 51' ' ' TRP . 26.6 mttp -84.2 37.66 0.63 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.806 0.336 . . . . 0.0 110.875 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -130.3 -31.41 1.86 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -88.64 37.93 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.408 ' CZ3' HG23 ' A' ' 24' ' ' VAL . 48.3 m95 -49.28 -39.55 31.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 40.1 t -62.05 -47.59 84.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.85 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.448 ' HD3' ' CD2' ' A' ' 27' ' ' TYR . 26.3 ttt180 -66.52 -42.5 87.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.852 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.425 HG22 ' CD1' ' A' ' 20' ' ' LEU . 88.5 mt -56.1 -39.6 59.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.03 -43.56 91.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.092 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 58.3 m -49.03 -42.1 37.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.9 mt -55.03 -42.68 72.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.9 mt -91.57 125.32 36.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.504 ' CD2' ' HG2' ' A' ' 41' ' ' ARG . 56.8 t60 -70.33 134.31 47.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.912 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.504 ' HG2' ' CD2' ' A' ' 40' ' ' HIS . 26.4 mmm-85 67.25 43.11 2.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.859 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.535 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 23.3 mmtm -141.1 137.11 32.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.0 t -119.19 159.42 24.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -43.4 -41.93 4.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.075 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.2 tmtt? -56.1 -50.81 70.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -63.07 -44.16 96.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 69.3 m -59.21 -46.2 89.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.3 tttt -66.6 -47.64 72.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.8 -63.21 1.28 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.116 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.521 ' HG2' ' CD2' ' A' ' 12' ' ' TRP . 5.8 tpt180 -46.08 -39.38 9.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.52 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 24.5 t-105 -66.8 -74.22 0.12 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -53.14 -19.94 3.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.964 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -66.27 -55.79 14.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.837 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.453 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 4.6 m95 -127.93 -38.07 1.87 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.52 ' O ' ' CD2' ' A' ' 51' ' ' TRP . 1.3 mt -84.64 90.58 7.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.401 ' CG ' ' HD2' ' A' ' 57' ' ' PRO . 19.7 t70 -172.45 139.56 0.98 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.647 0.737 . . . . 0.0 110.85 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.401 ' HD2' ' CG ' ' A' ' 56' ' ' ASP . 53.7 Cg_endo -69.74 -45.74 1.49 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.655 2.236 . . . . 0.0 112.348 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.4 t -43.74 -37.8 2.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.825 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.453 ' CD1' ' O ' ' A' ' 54' ' ' TRP . 69.0 mt -40.73 140.21 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.158 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.5 mtpp -91.34 44.29 1.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.4 ttmt -104.17 41.52 1.3 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.933 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.1 t -168.52 138.11 2.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.15 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 64' ' ' TRP . 20.3 tt0 -65.27 -61.64 2.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.867 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.411 ' C ' ' O ' ' A' ' 63' ' ' GLU . 4.8 t90 -37.56 118.77 0.67 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.924 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 41.6 t -90.08 117.9 29.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.838 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -119.32 86.17 0.4 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.481 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 137.14 34.62 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.682 2.254 . . . . 0.0 112.335 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.6 t -100.09 -57.28 2.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.6 p -94.93 163.43 13.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.823 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.464 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 m -134.09 143.87 48.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.906 0.384 . . . . 0.0 110.858 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.0 p -71.82 148.45 46.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.84 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.9 128.63 2.88 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.451 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.7 m -53.04 -53.42 50.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.875 0.369 . . . . 0.0 110.897 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.5 p -62.95 176.71 0.67 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.855 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.73 117.09 0.48 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.498 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.31 162.97 23.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.818 0.342 . . . . 0.0 110.913 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -164.25 129.66 2.04 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.533 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -129.76 147.17 17.86 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.487 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.444 ' O ' ' CD1' ' A' ' 12' ' ' TRP . 33.6 m -63.94 172.0 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.841 0.353 . . . . 0.0 111.107 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.555 ' CZ2' ' HD2' ' A' ' 42' ' ' LYS . 23.9 m95 -153.19 129.4 10.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.954 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 60.3 mtt180 -104.8 157.83 16.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -44.34 -47.95 9.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 44.6 p -57.81 -50.06 74.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.148 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -56.19 -41.93 76.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.82 -46.63 68.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -54.53 -47.17 73.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 27.0 mt -63.11 -44.44 99.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.419 HD12 ' CG2' ' A' ' 35' ' ' ILE . 37.0 tp -61.21 -59.18 5.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.3 mtmt -42.64 -59.3 1.96 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 25' ' ' MET . . . -57.11 -63.99 1.03 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.066 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -39.14 -52.11 1.9 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.081 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.556 HG23 ' CZ3' ' A' ' 32' ' ' TRP . 42.5 t -51.52 -37.78 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.087 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.423 ' N ' ' O ' ' A' ' 22' ' ' ALA . 18.1 mmt -74.69 -35.29 62.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.85 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -70.1 -62.34 1.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -78.42 -32.56 48.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.936 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.49 ' CA ' ' O ' ' A' ' 24' ' ' VAL . . . 107.78 170.75 21.78 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.427 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.0 mttp -81.67 41.27 0.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.832 0.348 . . . . 0.0 110.95 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 -132.05 -34.53 1.27 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -85.88 40.72 0.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.556 ' CZ3' HG23 ' A' ' 24' ' ' VAL . 52.8 m95 -54.81 -40.15 69.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 89.8 p -64.35 -39.79 94.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.95 -40.76 65.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.893 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.419 ' CG2' HD12 ' A' ' 20' ' ' LEU . 90.1 mt -58.47 -38.99 73.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.11 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.97 -41.94 71.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.128 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.1 m -51.82 -40.97 61.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.846 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.5 mt -55.75 -45.82 77.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.5 mt -87.03 123.29 31.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 17.5 t-160 -69.6 134.62 48.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 40.6 mtm-85 68.36 43.91 1.4 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.828 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.555 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 21.1 mmtm -139.49 170.48 15.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.1 t -153.6 161.28 42.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -42.48 -62.37 0.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.132 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.2 tptp -41.94 -52.17 4.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -59.31 -51.56 69.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 67.1 m -52.41 -48.35 65.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.0 tttm -64.23 -45.02 90.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.19 -64.34 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.047 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.516 ' HG2' ' CD2' ' A' ' 12' ' ' TRP . 8.3 tpt180 -47.31 -41.12 18.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.539 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 38.8 t-105 -63.24 -71.89 0.15 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.958 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -55.91 -20.55 16.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -64.76 -56.84 11.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.951 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.485 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 4.9 m95 -128.01 -41.2 1.63 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.952 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.539 ' O ' ' CD2' ' A' ' 51' ' ' TRP . 1.1 mt -81.76 90.44 6.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.912 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.413 ' CG ' ' HD2' ' A' ' 57' ' ' PRO . 9.6 t70 -173.33 140.28 0.87 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.581 0.705 . . . . 0.0 110.859 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.413 ' HD2' ' CG ' ' A' ' 56' ' ' ASP . 54.1 Cg_endo -69.72 -49.94 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.63 2.22 . . . . 0.0 112.344 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.2 m -39.85 -40.52 1.0 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.485 ' CD1' ' O ' ' A' ' 54' ' ' TRP . 88.9 mt -37.69 138.24 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.175 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 32.2 mttt -123.04 96.4 5.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.8 -51.35 0.98 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 81.7 p -117.29 157.23 26.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -108.36 -45.95 3.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 24.7 t90 -79.97 114.08 18.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.937 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 78.1 p -91.03 120.59 32.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -69.6 -159.66 2.31 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.505 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 2.72 3.28 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.669 2.246 . . . . 0.0 112.389 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 25.4 p -166.51 137.95 3.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.83 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.8 m -47.38 -45.63 25.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.844 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.529 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.3 m 59.81 42.57 16.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.855 0.359 . . . . 0.0 110.865 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.8 t -64.45 126.87 29.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.862 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.75 -122.15 1.33 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.453 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 6' ' ' SER . 48.3 t -106.8 -60.7 1.63 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.899 0.381 . . . . 0.0 110.866 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 5' ' ' SER . 80.0 p 34.52 42.33 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.48 -172.31 18.93 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.478 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 9' ' ' GLY . 10.9 mmtp -61.56 -52.93 62.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.821 0.343 . . . . 0.0 110.889 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 8' ' ' LYS . . . -35.12 120.53 0.43 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.484 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.77 160.87 32.98 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.487 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 67.4 t -76.62 155.75 5.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.831 0.348 . . . . 0.0 111.146 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.447 ' CE3' ' HB3' ' A' ' 16' ' ' GLU . 29.1 m95 -146.83 132.29 18.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.7 mmt85 -105.7 157.34 17.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.838 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -40.38 -54.43 2.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 21.6 p -55.51 -59.67 4.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.447 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 6.7 mm-40 -42.94 -41.88 3.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -66.71 -44.71 80.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -56.52 -52.11 65.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 23.4 mt -53.28 -49.62 51.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 17.0 tp -62.9 -59.61 4.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.953 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.4 mtpp -42.98 -53.33 4.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.93 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 25' ' ' MET . . . -60.08 -66.06 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.086 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -38.98 -51.66 1.8 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.555 HG22 ' CZ3' ' A' ' 32' ' ' TRP . 88.4 t -52.32 -38.18 24.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.165 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.42 ' N ' ' O ' ' A' ' 22' ' ' ALA . 8.0 mmt -70.28 -31.21 68.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.551 ' HD3' ' CE1' ' A' ' 27' ' ' TYR . 36.5 tttm -80.39 -66.06 0.93 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.858 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.551 ' CE1' ' HD3' ' A' ' 26' ' ' LYS . 4.3 m-85 -71.21 -29.19 64.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.912 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.465 ' CA ' ' O ' ' A' ' 24' ' ' VAL . . . 107.42 177.94 22.53 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.533 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.449 ' HG2' ' CG1' ' A' ' 24' ' ' VAL . 28.2 mttp -88.12 29.79 0.92 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.787 0.327 . . . . 0.0 110.898 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -123.16 -35.05 3.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -82.81 45.74 1.02 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.555 ' CZ3' HG22 ' A' ' 24' ' ' VAL . 60.8 m95 -58.4 -39.89 80.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.2 p -62.35 -47.14 85.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.7 ttt180 -64.2 -41.42 97.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 61.8 mt -60.73 -44.05 96.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.69 -44.5 66.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.136 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.8 m -46.36 -42.42 14.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.1 mt -53.18 -52.47 58.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.93 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.42 HD21 ' CD ' ' A' ' 16' ' ' GLU . 4.1 mt -80.34 130.88 35.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.48 ' CE1' ' HG2' ' A' ' 41' ' ' ARG . 31.3 t60 -74.61 133.68 42.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.48 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 1.5 mmp_? 68.11 38.06 2.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.84 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -132.33 147.52 52.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 62.1 m -127.16 165.56 19.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -50.14 -52.11 37.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.059 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.9 mmmt -48.58 -50.85 30.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.872 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -59.45 -46.0 90.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 66.9 m -59.06 -48.49 81.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.418 ' HD2' ' CD1' ' A' ' 32' ' ' TRP . 12.6 tttp -64.79 -46.4 82.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.4 ' O ' ' N ' ' A' ' 53' ' ' GLU . . . -63.5 -63.24 1.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.104 179.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 -47.64 -40.88 20.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.495 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 19.5 t-105 -67.03 -69.16 0.33 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -57.04 -18.09 12.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.4 ' N ' ' O ' ' A' ' 49' ' ' ALA . 5.1 mm-40 -69.53 -55.05 11.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.487 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 4.3 m95 -126.78 -40.86 1.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.495 ' O ' ' CD2' ' A' ' 51' ' ' TRP . 1.3 mt -82.71 89.08 6.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.933 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.456 ' N ' HD12 ' A' ' 59' ' ' ILE . 9.7 t70 -170.72 137.02 1.17 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.632 0.73 . . . . 0.0 110.859 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -48.72 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.671 2.247 . . . . 0.0 112.375 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.0 m -45.12 -33.56 2.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.825 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.487 ' CD1' ' O ' ' A' ' 54' ' ' TRP . 87.3 mt -39.77 138.11 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.138 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -106.75 83.77 1.9 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.461 ' CD ' HG21 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -68.74 142.01 55.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.918 179.858 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 82.4 p -130.46 114.13 15.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.147 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -82.89 -45.67 13.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -72.32 -59.88 2.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 66' ' ' GLY . 13.8 t -40.47 -43.91 1.92 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 65' ' ' SER . . . -35.6 -91.52 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.487 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 147.34 62.9 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.639 2.226 . . . . 0.0 112.367 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.2 t -98.53 128.45 44.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.0 m -64.16 109.55 1.89 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.451 -180.0 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.526 -0.229 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.4 p -166.16 159.27 15.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.873 0.368 . . . . 0.0 110.826 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.5 p -107.15 87.55 2.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.836 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.65 164.93 31.4 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.518 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.3 m -61.21 -47.15 87.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.859 0.361 . . . . 0.0 110.87 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 t -45.17 148.51 0.59 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.55 126.46 4.34 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.435 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.3 ptpt -86.02 152.19 23.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.784 0.326 . . . . 0.0 110.923 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 149.25 161.34 9.67 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.472 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -115.69 159.76 13.65 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.486 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.489 ' O ' ' CD1' ' A' ' 12' ' ' TRP . 35.4 m -78.01 168.87 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.797 0.332 . . . . 0.0 111.144 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.558 ' CE3' ' HB3' ' A' ' 16' ' ' GLU . 30.3 m95 -154.65 126.77 7.75 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.7 mmm180 -100.56 157.58 16.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.828 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 -40.26 -54.24 2.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.2 p -54.55 -59.25 4.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.094 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.558 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 7.4 mm-40 -43.76 -44.62 6.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.939 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.72 -49.13 61.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -53.53 -46.68 70.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 46.1 mt -60.11 -49.41 84.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.132 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.459 HD13 ' CG2' ' A' ' 35' ' ' ILE . 22.8 tp -58.14 -65.75 0.59 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.456 ' C ' ' O ' ' A' ' 20' ' ' LEU . 9.7 mtmm -33.99 -52.22 0.44 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 25' ' ' MET . . . -68.27 -60.95 2.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.091 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -39.54 -52.1 2.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.094 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.566 HG22 ' CZ3' ' A' ' 32' ' ' TRP . 66.4 t -49.18 -37.73 10.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.414 ' N ' ' O ' ' A' ' 22' ' ' ALA . 16.2 mmt -77.94 -34.05 51.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.7 ttpt -69.15 -61.31 1.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -82.07 -34.45 29.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.937 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.486 ' CA ' ' O ' ' A' ' 24' ' ' VAL . . . 113.76 174.94 18.95 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.465 ' HG2' ' CG1' ' A' ' 24' ' ' VAL . 41.9 mttp -86.04 21.58 1.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.792 0.329 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -116.14 -33.35 5.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -86.47 45.58 1.26 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.566 ' CZ3' HG22 ' A' ' 24' ' ' VAL . 52.1 m95 -57.83 -38.32 75.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.5 m -62.28 -49.96 73.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.888 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 43.7 ttt180 -62.02 -43.24 99.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.459 ' CG2' HD13 ' A' ' 20' ' ' LEU . 76.2 mt -55.87 -42.17 69.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.144 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.34 -35.17 64.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.05 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.1 t -58.92 -39.23 80.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.9 mt -59.11 -43.18 91.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.945 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.1 mt -86.26 138.05 32.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.562 ' CD2' ' HG2' ' A' ' 41' ' ' ARG . 11.0 t-160 -84.11 133.89 34.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.562 ' HG2' ' CD2' ' A' ' 40' ' ' HIS . 15.3 mmm180 67.26 43.72 1.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.427 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 27.2 mmtt -139.66 161.27 37.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.2 t -142.54 163.16 33.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.881 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -47.51 -41.35 20.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.095 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.416 ' HD3' ' C ' ' A' ' 45' ' ' LYS . 1.2 tmtp? -56.84 -54.45 46.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.864 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 42.9 mm-40 -63.34 -46.96 84.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 61.8 m -56.57 -45.48 81.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.8 tttm -69.74 -43.41 72.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.943 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.17 -65.41 0.68 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.111 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.443 ' HG2' ' CE2' ' A' ' 12' ' ' TRP . 6.3 tpt180 -43.95 -40.94 4.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.552 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 31.3 t-105 -63.58 -70.05 0.24 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -56.95 -18.73 14.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.905 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -67.37 -56.29 10.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.493 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 6.3 m95 -127.81 -40.7 1.7 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.552 ' O ' ' CD2' ' A' ' 51' ' ' TRP . 0.8 OUTLIER -81.87 89.38 6.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.463 ' OD1' ' N ' ' A' ' 58' ' ' SER . 1.3 t70 -170.64 141.72 1.57 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.536 0.684 . . . . 0.0 110.886 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -50.27 0.48 Allowed 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.711 2.274 . . . . 0.0 112.348 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.463 ' N ' ' OD1' ' A' ' 56' ' ' ASP . 19.2 m -40.7 -42.36 1.72 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.493 ' CD1' ' O ' ' A' ' 54' ' ' TRP . 85.7 mt -37.51 136.82 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.141 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.464 ' N ' HG23 ' A' ' 59' ' ' ILE . 18.4 mmmt -86.12 84.87 7.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.834 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -104.49 147.55 27.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.2 t -111.44 109.78 19.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -127.93 42.02 3.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.519 ' CG ' ' O ' ' A' ' 64' ' ' TRP . 0.7 OUTLIER -94.17 41.83 1.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.907 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.5 m -101.6 151.79 21.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.841 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -64.33 172.06 18.21 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.524 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 93.9 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.676 2.251 . . . . 0.0 112.387 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.3 t -44.56 -52.28 8.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 29.3 t -140.12 139.02 35.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.844 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.5 -179.996 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 3' ' ' SER . 52.8 p -107.75 -43.62 4.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.885 0.374 . . . . 0.0 110.835 -179.756 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 2' ' ' SER . 40.0 m 34.87 42.15 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.826 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.98 -77.85 0.24 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.47 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.6 t -160.99 129.81 4.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.874 0.369 . . . . 0.0 110.867 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 t -70.3 -57.55 4.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.869 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.94 42.84 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.53 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -163.37 174.46 11.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.842 0.353 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.464 ' HA3' ' NE2' ' A' ' 46' ' ' GLN . . . -66.98 -114.04 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.512 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.47 -75.64 1.0 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.483 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.463 HG11 ' N ' ' A' ' 12' ' ' TRP . 87.3 t -75.55 142.86 13.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.794 0.331 . . . . 0.0 111.182 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.559 ' CE3' ' HB3' ' A' ' 16' ' ' GLU . 12.8 m95 -145.63 133.93 21.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 14' ' ' ASN . 57.3 mtt180 -100.29 147.49 25.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 13' ' ' ARG . 0.6 OUTLIER -36.02 -55.24 0.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.91 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.5 p -50.79 -58.76 5.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.119 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.559 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 7.5 mm-40 -46.46 -49.94 17.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.14 -44.3 97.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -56.82 -56.01 27.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 21.5 mt -53.9 -44.33 60.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.1 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.451 HD11 ' CG2' ' A' ' 35' ' ' ILE . 21.2 tp -62.99 -58.1 8.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.6 mtpm? -42.03 -58.7 1.99 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.69 -64.78 0.7 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.102 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.67 -54.36 5.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.078 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.569 HG11 ' CH2' ' A' ' 51' ' ' TRP . 40.5 t -50.02 -29.13 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 6.4 mmt -82.69 -25.4 33.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.584 ' HD2' ' CE1' ' A' ' 27' ' ' TYR . 21.2 ttmt -91.96 -62.05 1.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.862 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.584 ' CE1' ' HD2' ' A' ' 26' ' ' LYS . 5.8 m-85 -72.85 -35.07 67.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.976 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 100.22 179.47 30.01 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.473 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.06 42.76 1.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.823 0.344 . . . . 0.0 110.866 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -132.79 -33.17 1.21 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.835 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -91.09 38.25 0.96 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 54.9 m95 -52.65 -36.67 57.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.7 m -60.0 -43.72 95.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 -179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.3 ttt-85 -71.64 -51.66 21.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.853 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.451 ' CG2' HD11 ' A' ' 20' ' ' LEU . 46.0 mt -43.84 -50.43 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.141 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -45.12 -38.39 5.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.092 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.9 t -53.9 -39.4 65.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.818 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 38.6 mt -60.19 -44.08 95.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.412 HD23 ' CD ' ' A' ' 16' ' ' GLU . 10.3 mt -87.24 150.84 23.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.424 ' CE1' ' HG2' ' A' ' 41' ' ' ARG . 13.6 t-80 -100.77 137.65 38.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.83 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.424 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 1.6 mmp_? 67.64 34.94 4.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.847 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -136.18 151.15 49.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 44' ' ' ALA . 73.2 m -126.84 153.61 45.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 43' ' ' SER . . . -37.44 -47.93 0.91 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.175 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -49.55 -57.06 7.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.464 ' NE2' ' HA3' ' A' ' 9' ' ' GLY . 15.7 mm100 -55.68 -58.94 5.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 92.8 m -46.41 -39.81 11.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.4 tttm -70.36 -39.81 74.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.99 -65.29 0.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.098 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.509 ' HG2' ' CD2' ' A' ' 12' ' ' TRP . 6.4 tpt180 -43.29 -34.16 1.14 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.569 ' CH2' HG11 ' A' ' 24' ' ' VAL . 13.0 t-105 -74.01 -70.62 0.38 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.41 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 15.1 m-85 -57.16 -13.74 3.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.95 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.418 ' O ' ' CE3' ' A' ' 54' ' ' TRP . 14.8 mt-10 -75.65 -51.53 12.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.418 ' CE3' ' O ' ' A' ' 53' ' ' GLU . 4.9 m95 -127.85 -41.88 1.62 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.542 ' O ' ' CD2' ' A' ' 51' ' ' TRP . 0.9 OUTLIER -85.23 90.76 7.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.883 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.414 ' CG ' ' HD2' ' A' ' 57' ' ' PRO . 18.9 t70 -171.55 139.91 1.18 Allowed Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.612 0.72 . . . . 0.0 110.847 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.414 ' HD2' ' CG ' ' A' ' 56' ' ' ASP . 53.8 Cg_endo -69.78 -49.14 0.59 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.698 2.265 . . . . 0.0 112.323 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.9 m -39.78 -35.14 0.31 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.812 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.414 HG22 ' N ' ' A' ' 60' ' ' LYS . 80.1 mt -46.82 136.36 2.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.414 ' N ' HG22 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -72.48 102.45 3.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.938 179.826 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.5 mmpt? -116.73 157.6 25.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 24.3 p -121.21 119.51 32.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.146 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -69.65 153.36 43.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 2.2 t90 -59.21 -49.14 79.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.3 t -77.09 147.92 36.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 124.36 145.98 6.8 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.513 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -7.79 21.94 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.697 2.264 . . . . 0.0 112.415 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 38.3 m -105.59 123.09 47.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.821 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.0 t -77.46 -50.93 11.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.481 179.987 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.55 -0.22 . . . . 0.0 112.55 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 1' ' ' GLY . 4.7 m 36.32 43.85 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.837 0.351 . . . . 0.0 110.849 -179.701 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.3 p -71.97 -25.22 61.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.853 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.21 134.89 14.41 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.497 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 t -91.41 168.61 11.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.907 0.384 . . . . 0.0 110.874 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.5 p -80.96 130.69 35.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.59 173.82 20.43 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.491 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.6 mtmt -150.28 132.21 15.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.841 0.353 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -166.16 -64.65 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.497 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 129.93 121.86 2.37 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.464 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.402 HG12 ' N ' ' A' ' 12' ' ' TRP . 36.9 t -79.03 144.18 11.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.797 0.332 . . . . 0.0 111.153 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.544 ' CZ2' ' HD2' ' A' ' 42' ' ' LYS . 52.8 m95 -140.3 147.59 40.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 53.8 mtt85 -127.31 164.87 20.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.835 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -44.65 -46.19 10.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 34.3 p -60.4 -56.43 21.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.184 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.447 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 41.8 mt-10 -48.66 -46.8 40.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.428 ' OD2' ' NH2' ' A' ' 50' ' ' ARG . 8.7 m-20 -60.1 -48.89 79.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -54.3 -54.44 40.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 26.5 mt -56.7 -58.49 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.13 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.416 HD22 ' CH2' ' A' ' 12' ' ' TRP . 22.8 tp -50.51 -55.31 16.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.959 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.9 mtpt -45.61 -53.23 9.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' A' ' 25' ' ' MET . . . -63.5 -60.92 2.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.105 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -38.98 -51.58 1.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.559 HG22 ' CH2' ' A' ' 32' ' ' TRP . 58.3 t -48.06 -39.54 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.404 ' N ' ' O ' ' A' ' 22' ' ' ALA . 10.1 mmt -76.74 -34.24 58.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.529 ' HD3' ' CE1' ' A' ' 27' ' ' TYR . 45.8 tttm -73.09 -64.26 1.01 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.529 ' CE1' ' HD3' ' A' ' 26' ' ' LYS . 86.5 m-85 -77.33 -31.99 54.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.495 ' CA ' ' O ' ' A' ' 24' ' ' VAL . . . 113.02 173.73 18.9 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.456 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.462 ' O ' ' NE1' ' A' ' 32' ' ' TRP . 43.1 mttt -86.62 18.62 3.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.8 0.333 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 -116.17 -29.79 6.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -83.71 39.06 0.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.559 ' CH2' HG22 ' A' ' 24' ' ' VAL . 54.9 m95 -55.38 -40.87 71.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 4.4 t -63.21 -48.36 78.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 35.1 ttt85 -64.4 -43.91 92.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.8 mt -55.62 -47.31 79.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -45.37 -43.86 11.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 54.5 m -47.57 -41.63 21.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.4 mt -56.03 -45.87 79.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.921 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.0 mt -86.45 131.46 34.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -76.65 134.16 39.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.856 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 27.1 mtm180 67.06 40.16 2.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.544 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 33.5 mmtm -138.16 138.26 38.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 44' ' ' ALA . 7.9 t -117.69 155.75 29.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 43' ' ' SER . . . -35.88 -59.99 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.068 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.5 tppt? -38.02 -61.79 0.62 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.416 ' N ' ' CD ' ' A' ' 46' ' ' GLN . 0.9 OUTLIER -47.71 -61.95 1.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 70.9 m -41.19 -43.51 2.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -72.58 -40.64 66.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.86 -65.29 0.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.522 ' HG2' ' CD2' ' A' ' 12' ' ' TRP . 6.5 tpt180 -43.55 -39.51 3.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.481 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 24.2 t-105 -66.11 -73.03 0.14 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.957 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -53.69 -19.2 3.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -67.76 -55.52 12.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 5.1 m95 -127.97 -40.22 1.71 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.943 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.481 ' O ' ' CD2' ' A' ' 51' ' ' TRP . 1.1 mt -83.15 93.09 7.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.427 ' CG ' ' HD2' ' A' ' 57' ' ' PRO . 10.6 t70 -173.75 139.94 0.8 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.667 0.746 . . . . 0.0 110.832 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.427 ' HD2' ' CG ' ' A' ' 56' ' ' ASP . 54.1 Cg_endo -69.73 -49.72 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.68 2.253 . . . . 0.0 112.393 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 72.6 m -39.4 -37.53 0.46 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.819 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 70.6 mt -44.69 139.71 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.121 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.0 mtpt -62.83 107.93 1.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 31.1 mttm -131.18 176.03 8.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 8.9 t -123.46 -41.76 2.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -43.3 -55.25 4.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.1 m0 47.69 41.54 13.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.9 m -65.08 -45.37 85.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.881 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.7 153.22 29.85 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.475 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 101.55 0.92 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.666 2.244 . . . . 0.0 112.346 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.6 t -130.5 117.57 19.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.3 t -131.09 102.73 6.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.486 -179.984 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.4 t -138.57 121.13 16.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.9 0.381 . . . . 0.0 110.887 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.5 m -92.61 171.36 9.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.4 -146.18 5.38 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.51 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.9 p -91.47 119.19 31.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.916 0.388 . . . . 0.0 110.845 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.7 m -112.03 122.07 46.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.31 165.57 13.65 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.466 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -124.5 144.69 49.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.871 0.367 . . . . 0.0 110.854 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 10' ' ' GLY . . . 65.38 85.2 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.489 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 9' ' ' GLY . . . -34.28 -86.05 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.473 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.438 ' O ' ' CD1' ' A' ' 12' ' ' TRP . 12.2 p -174.88 145.97 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.812 0.339 . . . . 0.0 111.127 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.568 ' CZ2' ' HD2' ' A' ' 42' ' ' LYS . 62.4 m95 -152.63 140.51 20.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 38.5 mtp85 -121.66 161.38 22.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.867 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -40.83 -39.64 1.17 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 26.1 p -66.51 -57.43 7.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.403 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 32.0 mt-10 -48.92 -43.21 39.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.72 -47.07 82.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -57.84 -49.38 76.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.902 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.9 mt -60.22 -56.14 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.101 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.1 tp -55.12 -58.3 8.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 49.0 mttt -42.47 -59.21 1.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.82 -61.13 2.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.095 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.07 -51.08 14.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.094 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.44 HG22 ' CZ3' ' A' ' 32' ' ' TRP . 55.1 t -51.96 -26.24 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.6 mmt -84.68 -28.62 26.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 19.2 tttp -88.24 -60.85 1.85 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 -74.97 -30.8 61.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.66 177.87 32.41 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.472 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.434 ' HG3' ' CG1' ' A' ' 24' ' ' VAL . 0.8 OUTLIER -91.23 35.99 0.93 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.783 0.325 . . . . 0.0 110.891 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 -124.82 -32.04 3.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -91.41 38.62 0.98 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.44 ' CZ3' HG22 ' A' ' 24' ' ' VAL . 45.3 m95 -52.04 -36.01 48.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.946 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.8 m -62.96 -43.95 97.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 53.3 ttt180 -71.54 -52.11 19.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 71.7 mt -44.46 -49.13 2.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.119 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -45.89 -42.04 12.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.14 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.0 t -47.46 -40.41 18.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.7 mt -54.36 -47.15 72.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.1 mt -93.26 162.12 14.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.951 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.46 ' O ' ' N ' ' A' ' 42' ' ' LYS . 0.7 OUTLIER -104.74 172.75 6.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 179.887 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 24.5 mtt180 40.08 25.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.568 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 31.0 mmtt -122.98 158.78 29.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 44' ' ' ALA . 60.6 p -139.25 149.16 43.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.905 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' A' ' 43' ' ' SER . . . -35.57 -44.54 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.44 -59.3 3.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 20.7 mm-40 -55.4 -57.89 10.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 87.4 m -45.49 -37.72 5.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 51.9 tttt -76.08 -41.65 49.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' A' ' 53' ' ' GLU . . . -74.67 -65.22 0.89 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.086 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.517 ' HG2' ' CE2' ' A' ' 12' ' ' TRP . 7.2 tpt180 -42.26 -39.29 2.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.548 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 14.1 t-105 -68.62 -71.86 0.2 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.43 ' CD1' ' CD1' ' A' ' 51' ' ' TRP . 15.4 m-85 -56.42 -13.61 2.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.93 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' A' ' 49' ' ' ALA . 3.5 mm-40 -74.1 -54.64 7.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.885 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 4.6 m95 -127.08 -31.17 2.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.548 ' O ' ' CD2' ' A' ' 51' ' ' TRP . 1.1 mt -93.39 91.37 7.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.455 ' N ' HD11 ' A' ' 59' ' ' ILE . 0.8 OUTLIER -171.44 143.14 1.48 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.571 0.7 . . . . 0.0 110.868 179.802 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -50.81 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.646 2.231 . . . . 0.0 112.352 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.1 m -43.26 -31.68 0.66 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.455 HD11 ' N ' ' A' ' 56' ' ' ASP . 66.6 mt -44.98 137.75 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.115 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.431 ' N ' HG23 ' A' ' 59' ' ' ILE . 8.2 ptmt -95.64 82.8 3.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -128.33 -58.48 1.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 37.5 p -74.69 85.69 2.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -80.62 100.42 8.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -91.29 169.79 10.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.934 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 96.9 p -121.18 167.1 13.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 169.3 83.35 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.45 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 68' ' ' SER . 54.4 Cg_endo -69.73 166.33 27.93 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.707 2.271 . . . . 0.0 112.33 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 67' ' ' PRO . 1.1 t -37.28 137.02 0.41 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.823 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.4 m -76.2 99.46 4.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.895 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.561 -179.998 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.8 p -131.71 173.64 10.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.897 0.38 . . . . 0.0 110.843 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.2 t -92.38 114.81 27.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.67 -52.46 0.83 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.465 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 t -71.51 82.4 0.81 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.863 0.363 . . . . 0.0 110.838 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -105.91 160.92 14.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.9 164.42 13.24 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.497 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -82.67 -44.42 15.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.803 0.335 . . . . 0.0 110.849 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -162.41 93.87 0.12 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.476 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -160.91 77.53 0.17 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.45 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.594 ' O ' ' CD1' ' A' ' 12' ' ' TRP . 7.4 p -174.96 141.01 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.841 0.353 . . . . 0.0 111.147 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.594 ' CD1' ' O ' ' A' ' 11' ' ' VAL . 45.2 m95 -156.63 155.63 32.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 14' ' ' ASN . 19.7 mtp180 -124.64 149.83 46.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.823 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.446 ' C ' ' O ' ' A' ' 13' ' ' ARG . 2.0 p-10 -34.71 -56.65 0.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 22.4 p -54.56 -65.18 0.62 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.144 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -39.35 -41.5 0.93 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.24 -45.3 85.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.835 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -57.82 -40.86 80.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 17.9 mt -65.39 -50.19 74.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.15 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 36.5 tp -54.66 -65.32 0.6 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 9.6 mtmm -39.81 -58.61 1.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.1 -61.65 2.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.136 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.91 -54.92 4.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.069 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.451 HG22 ' CH2' ' A' ' 32' ' ' TRP . 67.8 t -50.89 -33.11 12.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.143 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 8.6 mmt -78.11 -26.55 48.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -88.93 -65.05 1.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 -69.45 -35.03 75.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 103.67 -175.14 23.21 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.475 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.6 mttm -91.7 37.58 0.97 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.837 0.351 . . . . 0.0 110.892 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -128.78 -37.87 1.72 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -85.25 42.38 0.94 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.451 ' CH2' HG22 ' A' ' 24' ' ' VAL . 52.5 m95 -57.65 -37.53 73.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.936 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 54.5 p -63.01 -50.78 69.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -60.66 -47.54 85.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 77.4 mt -47.84 -50.23 9.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.107 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.16 -35.25 16.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.5 t -56.15 -37.81 70.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.3 mt -60.2 -46.83 88.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.947 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.8 mt -83.68 157.95 22.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.464 ' CE1' ' HE ' ' A' ' 41' ' ' ARG . 16.8 t-160 -100.75 132.99 45.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.834 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.464 ' HE ' ' CE1' ' A' ' 40' ' ' HIS . 39.2 mtt180 66.52 34.24 6.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.738 ' HZ3' ' NE2' ' A' ' 46' ' ' GLN . 39.4 mmtt -139.08 123.16 17.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.3 t -104.32 174.11 6.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -48.08 -52.13 21.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.086 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.5 mmmt -47.06 -59.09 3.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.738 ' NE2' ' HZ3' ' A' ' 42' ' ' LYS . 73.5 mt-30 -55.91 -49.83 72.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 65.2 m -53.56 -42.41 67.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.89 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.0 tttm -72.64 -39.4 67.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.51 -63.81 1.01 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.107 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.517 ' HG2' ' CE2' ' A' ' 12' ' ' TRP . 5.3 tpt180 -51.16 -38.3 51.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.551 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 20.2 t-105 -67.34 -69.17 0.33 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -57.32 -21.64 36.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.925 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -64.65 -54.57 29.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.494 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 4.3 m95 -127.84 -41.49 1.65 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.551 ' O ' ' CD2' ' A' ' 51' ' ' TRP . 1.0 OUTLIER -80.38 88.85 5.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.958 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -174.96 139.22 0.62 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.657 0.741 . . . . 0.0 110.835 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 -48.65 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.667 2.244 . . . . 0.0 112.339 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 59' ' ' ILE . 1.9 t -44.3 -40.49 5.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.494 ' CD1' ' O ' ' A' ' 54' ' ' TRP . 99.6 mt -35.3 135.56 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.127 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 54.7 mttt -92.3 114.35 26.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 31.3 mtmt -112.38 173.0 6.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.3 p -114.91 40.37 2.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -131.81 142.67 49.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 12.6 m95 -50.98 106.91 0.14 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.1 t -165.66 113.69 0.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -156.75 -95.02 0.1 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.478 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 170.89 15.51 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.694 2.262 . . . . 0.0 112.351 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 69' ' ' SER . 59.1 p 44.31 43.76 6.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.862 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 68' ' ' SER . 7.0 m -36.45 139.49 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.858 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.456 179.96 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 t -64.27 -45.44 88.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.861 0.362 . . . . 0.0 110.822 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -150.13 128.67 12.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.862 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.39 80.63 0.33 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.475 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.0 p -124.21 104.96 9.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.907 0.385 . . . . 0.0 110.879 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -165.14 157.81 16.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.916 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.65 -159.53 24.13 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.464 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.5 tttp 42.11 41.39 2.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.797 0.332 . . . . 0.0 110.846 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.44 -173.74 15.01 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.473 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -120.57 134.49 10.34 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.486 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.476 ' CG1' ' N ' ' A' ' 12' ' ' TRP . 60.0 t -63.95 165.05 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.824 0.345 . . . . 0.0 111.115 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.569 ' CZ2' ' HD2' ' A' ' 42' ' ' LYS . 17.1 m95 -141.96 149.67 40.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 36.1 mtm-85 -118.49 160.03 22.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.878 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 26.7 p-10 -46.69 -51.55 15.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.6 p -57.13 -58.15 9.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.47 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 6.9 mm-40 -45.31 -39.47 6.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -67.28 -46.5 73.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -54.69 -46.72 74.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 20.2 mt -62.32 -46.14 97.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 37.1 tp -60.43 -58.01 10.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.8 mtmt -45.0 -52.99 8.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.22 -60.67 3.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.075 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -44.41 -46.87 9.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.104 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.556 HG23 ' CZ3' ' A' ' 32' ' ' TRP . 80.8 t -55.37 -32.38 29.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.151 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 11.9 mmt -78.98 -33.87 44.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.3 tttt -81.03 -63.92 1.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 74.4 m-85 -71.26 -33.18 69.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 105.83 174.6 23.78 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.521 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.1 mttt -88.83 30.68 0.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.766 0.317 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 -126.39 -28.86 3.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -89.66 40.32 0.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.556 ' CZ3' HG23 ' A' ' 24' ' ' VAL . 51.2 m95 -52.76 -37.2 59.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.6 m -63.22 -50.33 70.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.847 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.7 ttt85 -63.07 -46.22 88.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 89.4 mt -51.02 -44.59 28.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.16 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.62 -41.13 41.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.079 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 30.9 t -52.11 -39.97 60.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 32.6 mt -58.86 -44.79 91.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.5 mt -87.04 133.99 33.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 13.8 t-160 -82.12 133.5 35.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.9 mmm180 68.66 41.06 1.71 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.569 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 21.4 mmtt -141.24 148.27 39.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.964 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 45.0 t -127.03 160.71 30.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.794 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -42.96 -43.58 4.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.132 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.422 ' HD3' ' C ' ' A' ' 45' ' ' LYS . 11.2 tmtt? -51.56 -58.62 5.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.926 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 17.2 mp0 -58.14 -46.26 85.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 84.0 m -55.85 -44.65 78.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.2 tttt -69.47 -49.45 54.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.62 -65.24 0.71 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.044 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.513 ' HG2' ' CD2' ' A' ' 12' ' ' TRP . 10.4 tpt180 -40.23 -43.61 1.72 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.543 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 28.3 t-105 -63.73 -70.9 0.19 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -56.21 -15.1 3.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -72.33 -55.56 6.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.463 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 5.4 m95 -127.8 -38.98 1.83 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.543 ' O ' ' CD2' ' A' ' 51' ' ' TRP . 1.0 OUTLIER -85.08 90.6 7.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.494 ' OD1' ' N ' ' A' ' 58' ' ' SER . 0.5 OUTLIER -166.79 142.41 3.63 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.634 0.731 . . . . 0.0 110.828 179.858 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -50.81 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.645 2.23 . . . . 0.0 112.344 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.494 ' N ' ' OD1' ' A' ' 56' ' ' ASP . 2.8 m -41.44 -41.57 2.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.463 ' CD1' ' O ' ' A' ' 54' ' ' TRP . 48.2 mt -36.31 145.31 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.421 ' HD2' ' C ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -98.41 33.38 2.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.874 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.15 146.1 28.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 13.8 t -53.14 134.52 38.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.135 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -88.46 153.35 21.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.453 ' CD1' ' N ' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -49.55 103.11 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.9 t -84.69 126.49 33.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.826 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -134.57 -94.73 0.5 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.46 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 68' ' ' SER . 53.9 Cg_endo -69.73 0.88 4.99 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.625 2.217 . . . . 0.0 112.366 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 67' ' ' PRO . 22.4 m -34.52 121.47 0.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 70' ' ' GLY . 50.0 m -37.29 108.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.844 -179.816 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 69' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.362 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.479 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.2 t -106.51 -47.94 3.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.834 0.35 . . . . 0.0 110.858 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.8 p -97.68 -33.04 11.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 41.58 -164.47 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.499 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.9 m -96.28 106.85 19.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.923 0.392 . . . . 0.0 110.798 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.5 p -121.91 43.91 2.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.86 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 41.36 67.56 0.77 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.514 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.58 122.85 9.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.832 0.349 . . . . 0.0 110.862 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -111.72 96.16 0.85 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.495 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.61 -138.86 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.472 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 39.5 t -123.23 149.42 27.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.821 0.343 . . . . 0.0 111.093 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.567 ' CZ2' ' HD2' ' A' ' 42' ' ' LYS . 32.9 m95 -146.15 139.78 26.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.7 mtt85 -113.31 163.22 15.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -50.07 -46.77 53.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.0 p -60.38 -50.29 74.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.154 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.505 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 7.1 mm-40 -52.51 -40.91 62.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.66 -41.6 83.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -59.88 -45.77 91.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 31.7 mt -64.24 -49.04 82.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.09 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 31.3 tp -59.36 -59.49 5.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 18.6 mtpp -41.69 -55.57 2.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.81 -59.35 5.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.12 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -44.82 -53.66 7.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.07 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.43 HG23 ' CH2' ' A' ' 32' ' ' TRP . 73.8 t -49.74 -29.56 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.096 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 7.6 mmt -81.49 -35.76 30.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.511 ' HD3' ' CE1' ' A' ' 27' ' ' TYR . 24.5 tttt -78.75 -61.3 2.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.511 ' CE1' ' HD3' ' A' ' 26' ' ' LYS . 56.6 m-85 -73.56 -29.81 62.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.912 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 101.28 175.66 28.83 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.524 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.1 mtpt -89.59 36.05 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.794 0.33 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -127.62 -33.77 2.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -86.58 39.49 0.84 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.43 ' CH2' HG23 ' A' ' 24' ' ' VAL . 56.4 m95 -52.67 -37.18 58.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 85.1 p -63.24 -48.38 78.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.835 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.9 ttt-85 -66.67 -48.26 69.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 83.0 mt -48.25 -44.12 12.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.19 -43.83 67.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.4 t -48.85 -41.36 32.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 20.6 mt -54.54 -50.39 68.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.3 mt -82.03 137.04 35.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.518 ' CE1' ' NH1' ' A' ' 41' ' ' ARG . 17.4 t-160 -81.22 134.95 35.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.518 ' NH1' ' CE1' ' A' ' 40' ' ' HIS . 27.3 mtm-85 65.8 42.7 3.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.567 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 20.9 mmtp -141.32 146.64 36.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 58.2 m -126.08 165.75 18.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.83 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -49.51 -43.99 45.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.09 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -50.76 -58.01 6.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.868 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -60.07 -47.38 86.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.913 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 68.9 m -54.16 -39.75 66.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.0 tttm -75.15 -47.92 26.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.5 -63.88 0.99 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.137 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.418 ' NH2' ' HB3' ' A' ' 12' ' ' TRP . 5.5 tpt180 -42.15 -42.38 2.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.865 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.511 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 8.3 t-105 -66.86 -70.74 0.23 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.476 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 46.8 m-85 -54.62 -16.19 2.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.947 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -72.82 -54.76 7.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.847 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.414 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 5.3 m95 -125.7 -37.1 2.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.511 ' O ' ' CD2' ' A' ' 51' ' ' TRP . 1.0 OUTLIER -86.93 86.26 7.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -164.13 136.29 3.77 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.6 0.714 . . . . 0.0 110.853 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -45.43 1.6 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.738 2.292 . . . . 0.0 112.311 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 51.9 m -49.9 -26.7 4.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.414 ' CD1' ' O ' ' A' ' 54' ' ' TRP . 88.9 mt -43.98 137.77 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.123 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -87.39 29.7 0.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.856 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.483 ' O ' ' N ' ' A' ' 63' ' ' GLU . 7.8 mmpt? 34.63 44.94 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.425 ' C ' ' O ' ' A' ' 61' ' ' LYS . 4.6 t -36.12 -30.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.153 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 61' ' ' LYS . 20.4 tt0 -110.89 117.83 34.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.426 ' O ' ' C ' ' A' ' 65' ' ' SER . 12.5 m95 -88.39 -44.34 10.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 64' ' ' TRP . 7.5 t -36.26 -51.59 0.78 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -106.59 83.81 0.36 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.51 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 -18.11 37.01 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.654 2.236 . . . . 0.0 112.35 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 52.5 p 46.11 45.05 12.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 49.4 p -141.88 170.45 15.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.874 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.485 179.973 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.1 m -129.93 101.39 5.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.9 0.381 . . . . 0.0 110.859 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 m 61.09 42.6 12.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.85 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -71.06 94.38 0.53 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.484 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 6' ' ' SER . 57.1 p -34.79 -55.12 0.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.881 0.372 . . . . 0.0 110.836 -179.764 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 5' ' ' SER . 34.4 p -34.87 140.01 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.824 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.32 63.53 0.35 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.449 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.3 mttp -50.52 98.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.814 0.34 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 122.02 174.09 14.54 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.45 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.8 -87.65 1.17 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.504 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.9 p -70.27 147.24 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.815 0.341 . . . . 0.0 111.128 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.433 ' CE2' ' HG2' ' A' ' 50' ' ' ARG . 9.2 m95 -145.79 135.45 23.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.928 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.3 mtm180 -94.33 149.28 21.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.863 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -44.6 -47.13 10.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 25.7 p -56.42 -56.51 20.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -53.15 -42.29 65.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.846 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -64.46 -44.55 90.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -59.27 -46.43 88.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 35.1 mt -65.25 -44.33 95.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.097 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 43.1 tp -59.87 -62.39 1.91 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.5 mtmt -41.43 -52.58 3.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.98 -63.97 1.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.127 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.86 -47.91 8.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.421 ' CG1' ' HG3' ' A' ' 29' ' ' LYS . 53.3 t -55.06 -31.76 26.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 21.8 mmt -80.23 -33.35 38.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.6 tttp -77.96 -62.51 1.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -75.84 -34.29 60.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.42 173.07 20.18 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.491 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.421 ' HG3' ' CG1' ' A' ' 24' ' ' VAL . 3.4 mtmp? -85.31 28.68 0.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.816 0.341 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -126.49 -28.05 3.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.417 ' NE2' ' HE ' ' A' ' 34' ' ' ARG . 7.0 mm100 -87.13 37.32 0.76 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.58 ' CD1' ' HE3' ' A' ' 48' ' ' LYS . 57.1 m95 -50.06 -63.59 1.07 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.4 t -40.9 -41.51 1.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.86 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.417 ' HE ' ' NE2' ' A' ' 31' ' ' GLN . 14.5 ttm-85 -68.64 -42.01 78.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 71.9 mt -64.97 -52.27 55.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -40.38 -43.44 1.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.104 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 30.0 t -51.14 -40.83 59.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 16.3 mt -55.23 -47.41 75.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.7 mt -87.37 152.14 22.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.463 ' CE1' ' HG3' ' A' ' 41' ' ' ARG . 10.0 t-160 -92.93 140.95 28.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.463 ' HG3' ' CE1' ' A' ' 40' ' ' HIS . 24.5 mtm180 62.24 41.37 10.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -140.91 141.09 34.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 44' ' ' ALA . 40.8 t -124.53 155.65 38.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.83 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 43' ' ' SER . . . -36.01 -51.72 0.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.141 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.416 ' HD2' ' C ' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -46.11 -56.55 5.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -53.82 -56.94 13.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 67.0 m -46.43 -46.2 18.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.58 ' HE3' ' CD1' ' A' ' 32' ' ' TRP . 7.8 ttmt -64.82 -53.61 44.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.07 -65.28 0.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.086 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.433 ' HG2' ' CE2' ' A' ' 12' ' ' TRP . 10.1 tpt180 -44.1 -38.2 3.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.858 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.542 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 40.6 t-105 -65.99 -67.79 0.42 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -59.19 -16.45 20.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.966 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -70.21 -56.71 6.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.844 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.402 ' CD1' ' NH1' ' A' ' 50' ' ' ARG . 5.7 m95 -128.04 -40.71 1.66 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.542 ' O ' ' CD2' ' A' ' 51' ' ' TRP . 0.8 OUTLIER -84.41 85.24 7.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.953 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' A' ' 58' ' ' SER . 1.2 t0 -165.78 133.17 2.25 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.622 0.725 . . . . 0.0 110.837 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.454 ' N ' ' OD1' ' A' ' 56' ' ' ASP . 53.5 Cg_endo -69.79 -44.56 1.99 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.646 2.231 . . . . 0.0 112.318 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.491 ' N ' ' OD1' ' A' ' 56' ' ' ASP . 13.0 m -49.2 -34.45 14.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.869 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.436 HG21 ' N ' ' A' ' 60' ' ' LYS . 91.4 mt -35.37 144.31 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.13 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.436 ' N ' HG21 ' A' ' 59' ' ' ILE . 43.5 mmtt -80.57 42.79 0.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.8 mmmm -124.77 168.13 13.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.9 t -91.54 132.29 36.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -137.12 153.46 50.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -120.54 40.97 3.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 29.6 p -89.09 -39.99 13.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 155.82 147.57 4.77 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.48 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -0.13 6.49 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.709 2.273 . . . . 0.0 112.331 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.2 t -92.57 84.45 5.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 43.9 t -99.19 79.86 2.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.465 -179.976 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.461 -0.255 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -114.85 -53.97 2.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.916 0.388 . . . . 0.0 110.861 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.6 m -38.71 -50.98 1.68 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.96 -77.9 0.21 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.5 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -107.2 97.81 7.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.914 0.388 . . . . 0.0 110.845 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.8 p -150.34 144.29 25.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.87 70.62 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.478 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -133.23 139.13 46.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.832 0.349 . . . . 0.0 110.879 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -139.05 74.74 0.39 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.52 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -158.73 32.87 0.48 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.496 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.599 ' O ' ' CD1' ' A' ' 12' ' ' TRP . 7.4 p -152.99 151.84 11.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.8 0.333 . . . . 0.0 111.117 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.599 ' CD1' ' O ' ' A' ' 11' ' ' VAL . 57.0 m95 -157.23 140.52 15.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 14' ' ' ASN . 15.4 mmm180 -112.48 154.56 25.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 13' ' ' ARG . 10.6 p-10 -36.21 -55.93 0.77 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 36.2 p -55.83 -63.84 1.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.144 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.425 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 7.1 mm-40 -39.21 -43.64 1.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.849 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.18 -46.2 78.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -56.28 -49.99 72.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.6 mt -56.83 -57.17 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.139 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 13.4 tp -51.05 -58.62 5.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.8 mttm -39.98 -59.83 1.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.434 ' O ' ' N ' ' A' ' 25' ' ' MET . . . -56.12 -61.4 2.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.059 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -38.96 -56.02 1.46 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.075 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.419 HG23 ' CZ3' ' A' ' 32' ' ' TRP . 61.9 t -50.95 -34.99 14.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.099 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.434 ' N ' ' O ' ' A' ' 22' ' ' ALA . 6.4 mmt -76.83 -29.65 56.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 48.5 tttt -85.33 -65.09 1.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -69.05 -32.92 72.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.55 170.67 26.75 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.528 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -82.64 40.26 0.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.836 0.35 . . . . 0.0 110.924 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -132.07 -37.09 1.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.948 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -85.3 39.1 0.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.419 ' CZ3' HG23 ' A' ' 24' ' ' VAL . 52.7 m95 -52.14 -40.92 62.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.889 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.1 t -64.26 -44.08 92.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.5 ttt85 -67.61 -38.21 83.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.849 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 85.7 mt -60.72 -44.85 98.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.161 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.52 -45.15 56.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.147 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.9 m -47.87 -41.21 23.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.0 mt -55.55 -45.78 77.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.9 mt -87.61 153.03 21.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.514 ' CE1' ' HG3' ' A' ' 41' ' ' ARG . 9.7 t-160 -96.65 139.14 33.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.514 ' HG3' ' CE1' ' A' ' 40' ' ' HIS . 31.4 mtm180 63.21 33.29 14.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -137.03 132.72 34.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.5 t -116.73 165.15 13.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -41.19 -42.91 2.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.086 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -57.24 -46.78 82.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -64.75 -54.52 30.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 90.0 m -54.95 -43.58 73.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.2 tttt -68.71 -39.31 80.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.83 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.11 -65.27 0.75 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.098 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.507 ' HG2' ' CD2' ' A' ' 12' ' ' TRP . 7.2 tpt180 -46.13 -34.75 4.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.548 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 41.2 t-105 -69.55 -73.15 0.16 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -54.11 -20.74 7.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.938 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -64.97 -61.71 2.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.864 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.493 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 4.2 m95 -122.67 -39.58 2.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.548 ' O ' ' CD2' ' A' ' 51' ' ' TRP . 1.1 mt -85.06 89.75 7.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.94 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.415 ' CG ' ' HD2' ' A' ' 57' ' ' PRO . 16.0 t70 -171.09 140.42 1.3 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.581 0.705 . . . . 0.0 110.88 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.415 ' HD2' ' CG ' ' A' ' 56' ' ' ASP . 53.5 Cg_endo -69.8 -45.7 1.47 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.695 2.263 . . . . 0.0 112.364 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 59' ' ' ILE . 1.3 t -44.32 -40.88 5.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.493 ' CD1' ' O ' ' A' ' 54' ' ' TRP . 89.5 mt -35.52 143.57 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.152 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.459 ' N ' HG23 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -101.09 34.32 2.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.853 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.5 ttmp? -99.02 38.59 1.37 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 36.2 p -80.98 42.78 0.66 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -94.75 -47.1 6.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.864 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 26.2 t90 -74.16 121.59 21.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 24.2 t 56.26 47.97 18.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -47.71 146.13 4.81 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.544 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 168.03 22.69 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.655 2.236 . . . . 0.0 112.356 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 80.0 p -123.58 138.34 54.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.821 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 98.8 p -80.56 -29.9 37.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.845 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.489 -179.991 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.7 p -117.03 118.78 33.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.827 0.346 . . . . 0.0 110.91 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.9 p -128.71 94.79 3.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.85 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.95 64.72 0.3 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.521 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 t -69.33 159.17 33.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.897 0.38 . . . . 0.0 110.829 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.2 t -96.55 39.77 1.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.31 90.38 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.477 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.4 mttm -81.17 174.88 11.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.813 0.34 . . . . 0.0 110.889 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.4 ' HA3' ' CD ' ' A' ' 46' ' ' GLN . . . -84.81 129.76 9.41 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.477 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 160.94 -62.73 0.29 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.484 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.428 HG22 ' N ' ' A' ' 12' ' ' TRP . 7.4 p -68.45 143.92 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.818 0.342 . . . . 0.0 111.109 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.519 ' CD2' ' HG2' ' A' ' 50' ' ' ARG . 10.7 m95 -145.62 168.65 20.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -128.71 149.17 50.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.868 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.4 p-10 -43.67 -43.7 5.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.9 p -63.06 -41.37 99.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.2 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.483 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 40.5 mt-10 -63.11 -33.16 74.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.471 ' HB3' ' CE ' ' A' ' 21' ' ' LYS . 0.7 OUTLIER -73.4 -45.45 54.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.813 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -53.78 -44.31 69.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 20.9 mt -67.53 -47.25 81.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 40.1 tp -58.35 -66.75 0.44 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.471 ' CE ' ' HB3' ' A' ' 17' ' ' ASP . 28.1 mtmt -37.18 -61.61 0.56 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.3 -63.72 1.03 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.098 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -42.45 -57.53 2.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 98.9 t -50.69 -30.94 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.139 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.5 mmt -80.61 -27.05 37.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.9 tttm -87.15 -61.84 1.63 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.915 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.42 ' HB3' ' NE2' ' A' ' 31' ' ' GLN . 4.3 m-85 -73.74 -31.81 63.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.33 176.14 27.51 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.499 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 40.8 mttt -84.26 39.81 0.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.8 0.333 . . . . 0.0 110.926 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 -133.15 -36.69 1.0 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . 0.42 ' NE2' ' HB3' ' A' ' 27' ' ' TYR . 21.5 mt-30 -84.15 40.14 0.75 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 53.9 m95 -53.42 -64.09 0.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.1 t -40.35 -45.86 2.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.3 ttm-85 -64.46 -50.4 67.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 44.5 mt -50.01 -44.51 21.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.085 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.91 -35.21 44.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.159 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.8 t -56.2 -39.25 72.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.812 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 26.5 mt -58.28 -45.18 88.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.967 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.3 mt -87.96 139.93 30.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.959 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -83.28 137.61 33.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? 63.99 41.78 6.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.514 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 35.0 mmtm -138.91 137.78 36.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 44' ' ' ALA . 23.0 t -120.0 155.8 32.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' A' ' 43' ' ' SER . . . -36.46 -53.19 0.86 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.127 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 35.2 tptt -46.02 -50.12 15.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.4 ' CD ' ' HA3' ' A' ' 9' ' ' GLY . 5.5 mm100 -60.21 -58.19 9.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 90.1 m -46.33 -42.77 15.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.7 tttp -69.01 -45.34 70.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.61 -65.35 0.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.106 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.519 ' HG2' ' CD2' ' A' ' 12' ' ' TRP . 7.0 tpt180 -48.0 -35.28 10.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.553 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 29.9 t-105 -70.24 -70.41 0.3 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -58.41 -14.36 7.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.942 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -70.95 -58.67 3.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.932 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.484 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 4.7 m95 -123.81 -41.26 2.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.553 ' O ' ' CD2' ' A' ' 51' ' ' TRP . 1.0 OUTLIER -84.5 88.05 7.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.942 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.468 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 12.2 t70 -174.96 139.79 0.63 Allowed Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.63 0.728 . . . . 0.0 110.882 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.418 ' HD2' ' CG ' ' A' ' 56' ' ' ASP . 53.8 Cg_endo -69.72 -47.47 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.661 2.241 . . . . 0.0 112.386 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 59' ' ' ILE . 56.1 m -43.26 -36.75 1.91 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.819 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.484 ' CD1' ' O ' ' A' ' 54' ' ' TRP . 47.8 mt -37.11 144.82 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.146 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.469 ' HE2' ' N ' ' A' ' 60' ' ' LYS . 0.3 OUTLIER -83.03 39.29 0.63 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 179.813 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.419 ' HD3' ' C ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -152.97 131.83 12.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.85 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 82.1 p -53.52 129.34 32.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.187 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -143.9 163.83 32.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 29.5 m95 -66.94 83.52 0.11 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.957 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 17.5 m -63.88 -54.03 41.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.837 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.74 68.54 1.52 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.497 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 177.87 5.15 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.663 2.242 . . . . 0.0 112.353 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.5 m -145.2 174.96 10.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.877 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 29.7 t -71.37 97.81 1.67 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.851 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.496 -179.973 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.5 m -107.5 131.8 53.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.913 0.387 . . . . 0.0 110.816 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -74.67 -61.33 1.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.835 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.96 147.02 5.35 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.465 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -71.79 -50.89 25.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.935 0.397 . . . . 0.0 110.861 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.3 t -81.99 158.64 23.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.835 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.8 -168.07 6.33 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.461 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp -147.05 157.51 43.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.805 0.336 . . . . 0.0 110.892 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.416 ' HA3' ' CD ' ' A' ' 46' ' ' GLN . . . 162.61 155.97 8.28 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.446 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 143.57 -98.02 0.2 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.536 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.559 ' O ' ' CD1' ' A' ' 12' ' ' TRP . 33.5 m -66.99 168.91 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.793 0.33 . . . . 0.0 111.166 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.559 ' CD1' ' O ' ' A' ' 11' ' ' VAL . 19.0 m95 -155.67 140.34 17.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.939 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 21.2 mtm180 -107.61 152.15 24.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -38.35 -55.32 1.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.6 p -51.11 -67.11 0.28 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.139 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -39.19 -40.36 0.72 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -69.76 -44.88 69.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.86 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -58.51 -47.36 84.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.6 mt -61.08 -47.69 92.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.139 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 26.2 tp -59.26 -63.91 1.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.922 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 44.1 mtmt -41.46 -52.24 3.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.49 -60.35 3.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.08 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -42.66 -53.77 4.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.079 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 50.0 t -49.85 -31.1 6.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.142 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 8.4 mmt -80.97 -27.63 35.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.1 tttp -90.1 -63.8 1.23 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -71.32 -31.31 67.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 101.24 170.79 28.31 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.485 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.3 mttp -84.68 17.02 2.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.783 0.325 . . . . 0.0 110.867 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -116.4 -8.88 11.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -108.33 34.29 3.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 56.0 m95 -50.07 -50.48 47.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.7 t -50.83 -35.86 34.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.821 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 24.6 ttt85 -79.08 -43.49 24.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 50.5 mt -56.96 -43.88 81.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.189 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.31 -41.56 65.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.085 179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.7 t -54.81 -38.64 67.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 17.2 mt -58.28 -42.18 86.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.8 mt -88.1 148.35 24.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.443 ' CE1' HH11 ' A' ' 41' ' ' ARG . 12.0 t-160 -89.01 131.85 35.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.443 HH11 ' CE1' ' A' ' 40' ' ' HIS . 66.9 mtm-85 66.47 42.94 2.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -141.67 154.57 45.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 42.7 m -140.7 158.81 43.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 -179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -38.67 -43.37 0.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.117 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.2 -56.57 17.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.416 ' CD ' ' HA3' ' A' ' 9' ' ' GLY . 11.8 mm100 -60.61 -49.76 76.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 92.4 m -52.59 -43.58 65.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.2 tttm -69.47 -41.03 76.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.3 -65.13 0.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -45.95 -38.72 7.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.831 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.544 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 36.9 t-105 -64.41 -68.56 0.34 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -57.91 -20.73 39.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.943 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -65.05 -57.37 8.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.485 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 7.6 m95 -127.31 -42.66 1.67 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.911 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.544 ' O ' ' CD2' ' A' ' 51' ' ' TRP . 0.7 OUTLIER -81.67 84.99 6.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -167.51 132.54 1.6 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.573 0.701 . . . . 0.0 110.888 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -39.01 7.0 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.698 2.265 . . . . 0.0 112.345 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.2 m -53.8 -24.84 16.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.485 ' CD1' ' O ' ' A' ' 54' ' ' TRP . 87.5 mt -46.91 138.86 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.175 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.452 ' N ' HG22 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -67.71 91.55 0.31 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 179.901 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.5 mtmt -137.75 178.58 7.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.1 t -72.01 143.56 49.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -53.45 118.96 4.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . 0.402 ' CD1' ' C ' ' A' ' 64' ' ' TRP . 1.9 t-105 -81.66 104.24 11.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.1 m -145.08 141.7 29.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 174.44 -158.23 26.4 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.504 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 125.17 11.82 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.692 2.261 . . . . 0.0 112.296 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 77.9 p -76.49 119.07 19.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.834 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.3 m -110.91 -57.82 2.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.839 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.52 179.992 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.469 -0.253 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 m -107.01 80.54 1.44 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.844 0.354 . . . . 0.0 110.797 -179.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.5 m 55.83 42.71 28.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.35 139.78 2.72 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.445 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.8 p -66.45 140.17 58.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.872 0.368 . . . . 0.0 110.863 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -89.49 -57.89 2.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.846 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.7 -116.63 4.02 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.454 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.9 tptp -134.05 155.75 49.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.87 0.367 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.24 -161.39 30.16 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.471 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -175.68 143.09 6.43 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.502 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.47 HG11 ' N ' ' A' ' 12' ' ' TRP . 33.1 t -79.68 147.88 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.794 0.33 . . . . 0.0 111.141 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.567 ' CE3' ' HB3' ' A' ' 16' ' ' GLU . 21.7 m95 -134.21 141.43 47.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 41.0 mtp180 -111.12 163.81 13.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -47.56 -44.84 26.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 21.0 p -61.96 -60.44 3.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.141 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.567 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 6.5 mm-40 -43.49 -45.06 6.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.829 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -65.11 -42.37 94.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -58.73 -51.33 70.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 19.9 mt -58.35 -50.61 77.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.134 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.424 HD12 ' CG2' ' A' ' 35' ' ' ILE . 18.8 tp -58.74 -60.34 3.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.3 mtpp -40.62 -59.73 1.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.918 179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 25' ' ' MET . . . -52.75 -62.91 1.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.061 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -39.11 -55.19 1.66 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.115 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.552 HG22 ' CZ3' ' A' ' 32' ' ' TRP . 92.4 t -51.56 -36.86 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.417 ' N ' ' O ' ' A' ' 22' ' ' ALA . 29.8 mmt -73.08 -31.97 64.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.567 ' HD3' ' CE1' ' A' ' 27' ' ' TYR . 43.5 tttm -82.26 -66.03 0.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.567 ' CE1' ' HD3' ' A' ' 26' ' ' LYS . 4.8 m-85 -69.42 -31.89 70.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.937 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.415 ' CA ' ' O ' ' A' ' 24' ' ' VAL . . . 105.34 175.32 24.23 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.482 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.0 mttt -84.89 36.36 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.812 0.339 . . . . 0.0 110.883 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -130.97 -32.26 1.64 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -86.26 39.93 0.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.552 ' CZ3' HG22 ' A' ' 24' ' ' VAL . 58.3 m95 -54.97 -41.43 71.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 34.8 p -57.92 -51.15 70.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.3 ttt85 -60.52 -51.89 67.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.424 ' CG2' HD12 ' A' ' 20' ' ' LEU . 78.1 mt -45.37 -47.45 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.147 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.31 -36.08 30.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.103 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.6 t -54.37 -41.46 69.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 24.5 mt -57.12 -49.13 76.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.932 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.409 HD23 ' CD ' ' A' ' 16' ' ' GLU . 7.6 mt -86.22 137.94 32.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.54 ' CD2' ' HG3' ' A' ' 41' ' ' ARG . 1.2 p-80 -84.88 142.22 29.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.54 ' HG3' ' CD2' ' A' ' 40' ' ' HIS . 39.2 mtt180 64.52 37.07 8.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.528 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 22.9 mmtm -134.84 154.08 51.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.8 m -138.08 159.41 42.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.859 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -40.94 -43.27 2.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.116 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.59 -56.33 22.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -59.55 -46.56 88.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 63.8 m -57.32 -47.77 80.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.9 tttt -66.09 -44.79 83.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.945 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.7 -63.01 1.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.102 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.507 ' HG2' ' CD2' ' A' ' 12' ' ' TRP . 10.1 tpt180 -47.81 -40.72 21.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.508 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 38.8 t-105 -64.36 -71.84 0.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -56.19 -19.26 12.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -66.34 -56.69 9.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.458 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 4.2 m95 -127.96 -41.07 1.65 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.508 ' O ' ' CD2' ' A' ' 51' ' ' TRP . 1.4 mt -81.39 91.5 6.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.908 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -173.92 140.91 0.82 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.594 0.712 . . . . 0.0 110.86 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -50.58 0.45 Allowed 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.708 2.272 . . . . 0.0 112.367 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.7 t -42.39 -39.0 2.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.851 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.458 ' CD1' ' O ' ' A' ' 54' ' ' TRP . 76.4 mt -41.48 144.12 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.106 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.453 ' N ' HG23 ' A' ' 59' ' ' ILE . 25.1 mmmt -82.16 84.35 7.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.93 -179.1 4.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.964 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 14.7 t -121.93 119.98 33.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.164 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -70.35 145.44 51.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 6.9 m-90 -45.37 -47.22 13.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.7 t -162.62 125.11 2.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.906 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 150.46 -94.92 0.16 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.469 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -179.83 3.17 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.694 2.263 . . . . 0.0 112.362 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 89.4 p 41.66 42.41 2.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.7 t -86.48 141.61 28.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.462 -179.974 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.7 t -45.76 -57.23 4.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.906 0.384 . . . . 0.0 110.865 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.6 t -60.75 110.15 1.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.905 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.19 75.54 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.462 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.5 p -93.7 148.26 22.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.848 0.356 . . . . 0.0 110.853 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.0 p -122.12 -32.32 3.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.59 166.59 26.46 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.491 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.62 142.48 44.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.815 0.34 . . . . 0.0 110.862 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' A' ' 11' ' ' VAL . . . 135.86 93.03 0.38 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.466 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.459 ' O ' ' CD1' ' A' ' 12' ' ' TRP . . . -49.18 91.37 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.447 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.439 ' C ' ' O ' ' A' ' 10' ' ' GLY . 3.8 p -34.84 152.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.811 0.339 . . . . 0.0 111.113 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.556 ' CZ2' ' HD2' ' A' ' 42' ' ' LYS . 28.6 m95 -124.34 159.58 29.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.2 mtp180 -119.62 157.43 28.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -43.49 -47.06 7.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.1 p -63.07 -59.85 4.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.426 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 7.3 mm-40 -44.25 -44.33 7.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.89 -48.53 68.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -51.47 -47.57 63.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.0 mt -62.12 -48.28 89.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.108 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.47 HD13 ' CG2' ' A' ' 35' ' ' ILE . 32.9 tp -58.12 -57.15 14.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.8 mtmt -44.65 -67.02 0.32 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -48.11 -60.69 2.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.133 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.23 -50.66 6.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.078 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.569 HG22 ' CZ3' ' A' ' 32' ' ' TRP . 47.9 t -55.29 -30.19 24.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.114 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 1.5 mtp -79.18 -36.98 39.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.561 ' HD3' ' CE1' ' A' ' 27' ' ' TYR . 36.1 tttp -75.07 -58.35 3.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.561 ' CE1' ' HD3' ' A' ' 26' ' ' LYS . 5.9 m-85 -80.94 -20.33 42.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.883 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.496 ' CA ' ' O ' ' A' ' 24' ' ' VAL . . . 96.83 -174.47 30.38 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt -96.33 25.14 5.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.809 0.338 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -112.32 -37.28 5.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -84.51 51.04 2.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.569 ' CZ3' HG22 ' A' ' 24' ' ' VAL . 56.6 m95 -62.92 -43.54 98.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.9 p -57.53 -50.8 71.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.817 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.0 ttt180 -60.67 -49.82 75.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.47 ' CG2' HD13 ' A' ' 20' ' ' LEU . 78.6 mt -48.9 -42.99 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.079 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.73 -41.7 74.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.07 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.7 t -49.96 -42.14 48.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.3 mt -54.1 -49.36 69.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.933 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.416 HD22 ' CD ' ' A' ' 16' ' ' GLU . 7.0 mt -84.21 130.93 34.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.514 ' CE1' ' HG2' ' A' ' 41' ' ' ARG . 42.2 t60 -74.67 136.39 41.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.514 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 1.7 mmp_? 66.31 40.65 3.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.828 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.556 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 42.9 mmtm -135.24 145.85 48.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 44' ' ' ALA . 72.5 p -129.52 148.88 51.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.903 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.429 ' C ' ' O ' ' A' ' 43' ' ' SER . . . -34.95 -46.51 0.31 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.091 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -49.54 -58.27 5.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -59.49 -44.03 93.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.889 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 62.4 m -57.19 -42.36 81.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -71.97 -43.44 65.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 53' ' ' GLU . . . -66.53 -63.99 0.95 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.413 ' CZ ' ' HB2' ' A' ' 12' ' ' TRP . 10.5 tpt180 -44.58 -41.36 6.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.462 ' NE1' ' OD1' ' A' ' 56' ' ' ASP . 21.5 t-105 -66.07 -72.93 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.953 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -55.18 -16.18 2.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.914 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 49' ' ' ALA . 16.6 mm-40 -71.13 -54.05 12.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 4.6 m95 -128.03 -41.43 1.62 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.923 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.455 ' O ' ' CD2' ' A' ' 51' ' ' TRP . 1.2 mt -82.64 94.03 7.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.952 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.462 ' OD1' ' NE1' ' A' ' 51' ' ' TRP . 5.4 t70 -174.84 140.81 0.68 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.539 0.685 . . . . 0.0 110.888 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.415 ' HD2' ' CG ' ' A' ' 56' ' ' ASP . 53.6 Cg_endo -69.75 -51.03 0.41 Allowed 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.699 2.266 . . . . 0.0 112.329 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 57' ' ' PRO . 48.0 t -38.28 -37.89 0.32 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 69.9 mt -45.84 139.56 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.151 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt -83.99 79.98 9.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -91.9 165.6 13.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.895 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.9 t -65.69 -25.54 67.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.182 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -50.5 125.69 13.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 22.2 m95 -68.48 169.24 11.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 66' ' ' GLY . 66.8 p -120.42 173.76 6.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.831 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 65' ' ' SER . . . -35.92 146.19 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.496 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -0.77 7.38 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.66 2.24 . . . . 0.0 112.356 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 18.5 p -58.08 -33.62 69.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.817 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 23.3 m -130.5 119.01 21.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.506 -179.985 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.577 ' CH2' HD22 ' A' ' 20' ' ' LEU . 21.0 m95 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.736 0.303 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 14' ' ' ASN . 38.6 mmm-85 -109.36 147.64 32.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 13' ' ' ARG . 16.5 p-10 -34.73 -53.41 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.2 p -50.68 -61.19 2.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.431 ' HA ' ' CD2' ' A' ' 39' ' ' LEU . 56.9 mt-10 -47.41 -45.31 25.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.942 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.21 -45.76 90.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -55.82 -49.44 73.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.1 mt -64.54 -46.63 92.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.577 HD22 ' CH2' ' A' ' 12' ' ' TRP . 37.8 tp -59.69 -61.49 2.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.567 ' HG3' HD13 ' A' ' 55' ' ' LEU . 6.5 mtpm? -43.53 -47.52 7.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 25' ' ' MET . . . -64.36 -66.37 0.55 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -39.05 -55.67 1.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.089 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.473 ' CG2' ' CZ3' ' A' ' 32' ' ' TRP . 80.0 t -52.5 -33.95 18.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.152 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.448 ' N ' ' O ' ' A' ' 22' ' ' ALA . 12.6 mmt -76.34 -31.27 58.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.908 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.0 tttp -82.44 -63.61 1.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.455 ' HE2' HD11 ' A' ' 38' ' ' LEU . 5.1 m-85 -72.9 -30.17 63.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.851 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.406 ' CA ' ' O ' ' A' ' 24' ' ' VAL . . . 104.06 174.49 25.45 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.49 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.433 ' HE3' ' CZ2' ' A' ' 51' ' ' TRP . 11.7 mttp -85.74 43.22 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.786 0.327 . . . . 0.0 110.877 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -131.29 -39.29 1.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.87 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -82.91 38.11 0.57 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.473 ' CZ3' ' CG2' ' A' ' 24' ' ' VAL . 56.9 m95 -52.04 -38.02 55.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.966 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 61.9 p -62.53 -51.79 66.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -60.12 -42.86 95.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.856 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.401 HD13 HG22 ' A' ' 24' ' ' VAL . 70.3 mt -57.92 -43.91 85.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.15 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.69 -41.14 42.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.08 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.9 m -54.82 -38.83 67.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.455 HD11 ' HE2' ' A' ' 27' ' ' TYR . 23.6 mt -55.47 -46.61 76.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.858 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.504 HD13 ' CH2' ' A' ' 12' ' ' TRP . 6.3 mt -90.65 139.43 30.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.548 ' CD2' ' HG3' ' A' ' 41' ' ' ARG . 2.8 p-80 -82.12 133.1 35.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.548 ' HG3' ' CD2' ' A' ' 40' ' ' HIS . 8.9 mtt-85 71.26 35.27 1.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.839 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.9 mmtm -131.53 154.5 48.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 37.4 p -141.55 163.19 33.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.852 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -43.92 -42.78 6.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.064 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.14 -48.35 80.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -66.14 -54.62 23.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.938 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 88.4 m -52.36 -43.78 64.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.8 tttm -70.19 -42.27 72.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.902 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.22 -65.23 0.7 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.509 ' HG2' ' CE2' ' A' ' 12' ' ' TRP . 5.9 tpt180 -45.04 -40.26 6.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.539 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 34.1 t-105 -63.62 -71.57 0.17 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -54.6 -21.71 11.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.966 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -64.79 -59.62 4.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.92 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 5.3 m95 -123.85 -42.5 2.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.928 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.567 HD13 ' HG3' ' A' ' 21' ' ' LYS . 0.9 OUTLIER -82.83 89.23 6.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.423 ' CG ' ' HD2' ' A' ' 57' ' ' PRO . 7.8 t70 -168.13 139.84 2.36 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.594 0.711 . . . . 0.0 110.841 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.423 ' HD2' ' CG ' ' A' ' 56' ' ' ASP . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.168 0 C-N-CA 122.674 2.249 . . . . 0.0 112.314 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.612 ' CH2' HD13 ' A' ' 39' ' ' LEU . 6.9 m95 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.751 0.31 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.9 mmt180 -126.76 146.41 50.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.888 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -42.67 -47.17 5.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 36.5 p -58.72 -51.65 69.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.559 ' HB3' ' CZ3' ' A' ' 12' ' ' TRP . 21.1 mt-10 -53.98 -42.87 69.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.86 -46.34 88.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -61.61 -53.5 55.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 21.9 mt -58.07 -47.35 87.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.152 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.582 HD12 HG21 ' A' ' 35' ' ' ILE . 21.7 tp -60.47 -60.76 3.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.612 ' HG3' HD13 ' A' ' 55' ' ' LEU . 18.8 mtpp -41.75 -50.58 4.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.36 -59.59 5.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.098 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 26' ' ' LYS . . . -42.31 -55.06 3.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.091 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.453 HG22 ' CZ3' ' A' ' 32' ' ' TRP . 59.6 t -45.15 -35.19 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.6 mmt -78.0 -27.98 49.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.555 ' HD2' ' CD1' ' A' ' 27' ' ' TYR . 6.2 tmtt? -84.05 -63.88 1.27 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.555 ' CD1' ' HD2' ' A' ' 26' ' ' LYS . 36.1 m-85 -73.56 -35.07 65.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 108.87 176.7 21.63 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.482 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 43.0 mttp -87.53 28.02 1.03 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.864 0.364 . . . . 0.0 110.948 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -124.69 -30.19 3.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -85.07 30.32 0.6 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.453 ' CZ3' HG22 ' A' ' 24' ' ' VAL . 51.5 m95 -47.58 -37.85 13.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.697 ' HA ' ' HB2' ' A' ' 44' ' ' ALA . 69.9 m -62.89 -50.92 69.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.862 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 38.5 ttt85 -62.72 -46.88 86.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.582 HG21 HD12 ' A' ' 20' ' ' LEU . 86.7 mt -49.0 -50.16 14.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -44.68 -42.78 7.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.092 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.1 t -50.39 -41.47 52.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.4 mt -55.19 -50.58 69.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.612 HD13 ' CH2' ' A' ' 12' ' ' TRP . 6.8 mt -84.16 136.04 34.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.452 ' CD2' ' HG3' ' A' ' 41' ' ' ARG . 2.2 p-80 -83.72 138.07 33.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.452 ' HG3' ' CD2' ' A' ' 40' ' ' HIS . 40.3 mtt-85 69.46 39.31 1.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.493 ' HE2' ' CE2' ' A' ' 12' ' ' TRP . 44.2 mmtm -140.54 171.91 13.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.3 t -151.54 164.67 36.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.697 ' HB2' ' HA ' ' A' ' 33' ' ' SER . . . -46.02 -54.75 7.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.075 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.7 tmtm? -46.62 -53.14 12.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -60.25 -50.53 73.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 69.1 m -53.18 -38.39 62.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 42.8 tttm -74.69 -40.17 61.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.415 ' O ' ' CG ' ' A' ' 53' ' ' GLU . . . -70.02 -64.56 0.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.49 ' HG2' ' CE2' ' A' ' 12' ' ' TRP . 6.6 tpt180 -44.72 -39.07 4.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.506 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 29.3 t-105 -66.58 -73.12 0.14 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -54.45 -17.78 3.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.953 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.415 ' CG ' ' O ' ' A' ' 49' ' ' ALA . 4.7 mm-40 -68.71 -55.87 9.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 4.2 m95 -127.94 -38.46 1.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.612 HD13 ' HG3' ' A' ' 21' ' ' LYS . 1.4 mt -83.85 91.84 7.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.42 ' CG ' ' HD2' ' A' ' 57' ' ' PRO . 14.1 t70 -173.37 140.13 0.86 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.6 0.714 . . . . 0.0 110.831 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.42 ' HD2' ' CG ' ' A' ' 56' ' ' ASP . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.171 0 C-N-CA 122.676 2.25 . . . . 0.0 112.315 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.583 ' CE3' ' HB3' ' A' ' 16' ' ' GLU . 7.6 m95 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.769 0.319 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 14' ' ' ASN . 25.1 mtt180 -112.21 148.39 34.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 13' ' ' ARG . 9.7 p-10 -37.79 -53.83 1.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 40.7 p -54.81 -59.24 4.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.583 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 7.3 mm-40 -43.27 -43.55 4.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.888 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.52 -47.64 66.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -52.17 -42.47 63.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.463 ' HB ' HD21 ' A' ' 39' ' ' LEU . 21.3 mt -69.07 -53.49 25.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.191 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.68 HD12 HG21 ' A' ' 35' ' ' ILE . 27.8 tp -54.63 -63.73 1.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.629 ' HG3' HD13 ' A' ' 55' ' ' LEU . 17.2 mtpp -38.43 -56.24 1.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.09 -55.95 25.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.87 -51.15 42.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.094 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.489 ' CG1' ' HG3' ' A' ' 29' ' ' LYS . 98.8 t -56.41 -26.0 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.15 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 7.5 mmt -84.3 -27.18 28.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 59.8 tttt -87.36 -60.86 1.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.559 ' HE2' HD11 ' A' ' 38' ' ' LEU . 6.7 m-85 -76.03 -31.23 58.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.9 169.69 26.27 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.519 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.489 ' HG3' ' CG1' ' A' ' 24' ' ' VAL . 14.8 mtmm -80.72 43.22 0.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.798 0.332 . . . . 0.0 110.861 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 50.9 m-80 -133.22 -38.12 0.96 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -83.68 49.5 1.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.449 ' CZ3' HG22 ' A' ' 24' ' ' VAL . 64.1 m95 -63.44 -48.44 77.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.63 ' HA ' ' HB2' ' A' ' 44' ' ' ALA . 78.0 p -55.01 -34.83 63.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -79.34 -44.58 21.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.68 HG21 HD12 ' A' ' 20' ' ' LEU . 62.0 mt -55.91 -50.98 65.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.107 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -45.0 -36.73 3.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.131 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 46.8 t -56.72 -39.95 74.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.559 HD11 ' HE2' ' A' ' 27' ' ' TYR . 18.1 mt -54.33 -45.25 72.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.878 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.475 HD13 ' CH2' ' A' ' 12' ' ' TRP . 6.1 mt -89.8 133.17 34.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.529 ' CE1' ' HG2' ' A' ' 41' ' ' ARG . 16.0 t-80 -76.34 138.72 40.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.529 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 16.3 mmt180 65.21 33.21 9.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.834 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.477 ' HE3' ' NE1' ' A' ' 12' ' ' TRP . 34.2 mmtm -132.05 135.43 46.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.918 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 32.8 p -113.43 158.71 20.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.63 ' HB2' ' HA ' ' A' ' 33' ' ' SER . . . -42.51 -44.43 4.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.147 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.7 tttt -55.66 -52.69 62.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.873 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -55.17 -40.05 70.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 64.6 m -64.6 -55.52 19.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 49.2 tttm -58.01 -49.88 75.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.61 -65.25 0.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.113 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.451 ' CZ ' ' HB2' ' A' ' 12' ' ' TRP . 10.3 tpt180 -46.8 -35.91 6.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.545 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 31.9 t-105 -68.59 -70.33 0.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -55.93 -19.24 11.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -67.4 -59.63 3.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 5.7 m95 -123.76 -41.69 2.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.629 HD13 ' HG3' ' A' ' 21' ' ' LYS . 0.9 OUTLIER -82.32 88.96 6.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.424 ' CG ' ' HD2' ' A' ' 57' ' ' PRO . 8.3 t70 -170.47 139.81 1.45 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.621 0.724 . . . . 0.0 110.899 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.424 ' HD2' ' CG ' ' A' ' 56' ' ' ASP . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.186 0 C-N-CA 122.737 2.292 . . . . 0.0 112.326 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.451 ' CH2' HD13 ' A' ' 39' ' ' LEU . 9.7 m95 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.759 0.314 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.434 ' O ' ' C ' ' A' ' 14' ' ' ASN . 29.0 mtm180 -106.77 143.67 34.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.434 ' C ' ' O ' ' A' ' 13' ' ' ARG . 2.5 p30 -35.12 -54.02 0.6 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 27.7 p -49.53 -57.66 6.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.14 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.451 ' HA ' ' CD2' ' A' ' 39' ' ' LEU . 43.1 mt-10 -53.51 -40.75 65.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.0 -49.18 73.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.832 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -55.21 -53.52 54.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 26.4 mt -55.25 -42.82 68.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.142 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.793 ' O ' HG23 ' A' ' 24' ' ' VAL . 27.2 tp -65.59 -61.04 2.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.556 ' CG ' HD13 ' A' ' 55' ' ' LEU . 52.1 mtmt -44.64 -59.39 2.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.99 -59.03 5.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.9 -50.56 8.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.13 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.793 HG23 ' O ' ' A' ' 20' ' ' LEU . 48.9 t -51.24 -34.81 15.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.105 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.4 mmt -77.06 -34.38 57.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.405 ' HE2' ' CZ ' ' A' ' 27' ' ' TYR . 51.1 tttt -78.81 -64.83 1.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.405 ' CZ ' ' HE2' ' A' ' 26' ' ' LYS . 55.0 m-85 -71.11 -32.02 68.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 105.13 -178.57 23.64 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.464 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 85.2 mttt -93.7 29.63 1.99 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -122.95 -33.67 3.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -85.76 37.29 0.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.4 ' HA ' HD12 ' A' ' 35' ' ' ILE . 53.7 m95 -50.61 -39.95 51.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.6 p -63.11 -48.92 76.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 48.0 ttt85 -63.26 -44.9 93.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.845 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.4 HD12 ' HA ' ' A' ' 32' ' ' TRP . 79.6 mt -52.5 -49.92 41.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.512 ' HB1' ' O ' ' A' ' 42' ' ' LYS . . . -46.99 -40.68 14.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.095 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.0 t -48.29 -42.05 29.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.846 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.5 mt -54.73 -45.53 74.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.923 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.451 ' CD2' ' HA ' ' A' ' 16' ' ' GLU . 7.9 mt -87.47 141.68 28.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.912 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.551 ' CE1' ' HG2' ' A' ' 41' ' ' ARG . 50.2 t60 -83.62 134.35 34.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.551 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 12.3 mmm180 63.63 47.07 3.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.512 ' O ' ' HB1' ' A' ' 36' ' ' ALA . 43.3 mmtm -143.14 134.96 26.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 17.7 m -116.23 160.75 20.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -41.78 -44.67 3.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.121 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.6 tptp -52.73 -46.54 67.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 -65.09 -54.42 30.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 68.5 m -51.18 -43.22 61.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.3 tttm -71.4 -37.47 71.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.42 -65.31 0.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.06 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -47.63 -37.14 12.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.55 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 38.5 t-105 -66.06 -69.18 0.32 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -57.41 -21.66 37.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -64.16 -58.48 6.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 5.2 m95 -125.9 -42.4 1.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.556 HD13 ' CG ' ' A' ' 21' ' ' LYS . 0.9 OUTLIER -82.7 84.52 7.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 57' ' ' PRO . 0.8 OUTLIER -167.36 133.66 1.78 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.589 0.709 . . . . 0.0 110.85 179.879 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.402 ' N ' ' OD1' ' A' ' 56' ' ' ASP . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.17 0 C-N-CA 122.637 2.225 . . . . 0.0 112.346 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.539 ' CZ2' ' HD2' ' A' ' 42' ' ' LYS . 36.4 m95 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.777 0.322 . . . . 0.0 110.957 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.3 mmm180 -108.25 155.88 19.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.844 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -38.99 -56.14 1.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 14.0 p -55.1 -60.4 3.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.168 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -42.97 -38.8 2.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.62 -46.05 49.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -56.83 -35.5 68.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.461 ' HB ' HD21 ' A' ' 39' ' ' LEU . 27.6 mt -69.09 -41.88 81.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.793 HD23 HD12 ' A' ' 55' ' ' LEU . 30.6 tp -60.71 -69.04 0.25 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.897 ' HD2' HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -34.19 -57.14 0.49 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.836 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.86 -63.06 1.27 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.175 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -44.96 -53.2 7.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.099 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 76.0 t -50.68 -32.32 10.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.14 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 12.1 mmt -77.38 -36.99 53.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.5 tttp -77.87 -62.85 1.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.923 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.464 ' CD2' ' HD3' ' A' ' 34' ' ' ARG . 70.8 m-85 -71.32 -30.06 65.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.864 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 100.13 170.28 29.6 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.438 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.49 ' HE3' ' CZ2' ' A' ' 51' ' ' TRP . 26.6 mttp -84.2 37.66 0.63 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.806 0.336 . . . . 0.0 110.875 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -130.3 -31.41 1.86 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -88.64 37.93 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 48.3 m95 -49.28 -39.55 31.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 40.1 t -62.05 -47.59 84.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.85 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.464 ' HD3' ' CD2' ' A' ' 27' ' ' TYR . 26.3 ttt180 -66.52 -42.5 87.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.852 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.538 HG21 HD12 ' A' ' 20' ' ' LEU . 88.5 mt -56.1 -39.6 59.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.03 -43.56 91.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.092 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 58.3 m -49.03 -42.1 37.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.9 mt -55.03 -42.68 72.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.461 HD21 ' HB ' ' A' ' 19' ' ' ILE . 6.9 mt -91.57 125.32 36.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -70.33 134.31 47.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.912 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 26.4 mmm-85 67.25 43.11 2.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.539 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 23.3 mmtm -141.1 137.11 32.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.0 t -119.19 159.42 24.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -43.4 -41.93 4.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.075 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.2 tmtt? -56.1 -50.81 70.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -63.07 -44.16 96.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 69.3 m -59.21 -46.2 89.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.3 tttt -66.6 -47.64 72.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.8 -63.21 1.28 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.116 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.519 ' HG2' ' CD2' ' A' ' 12' ' ' TRP . 5.8 tpt180 -46.08 -39.38 9.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.52 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 24.5 t-105 -66.8 -74.22 0.12 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -53.14 -19.94 3.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.964 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -66.27 -55.79 14.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.837 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 4.6 m95 -127.93 -38.07 1.87 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.897 HD13 ' HD2' ' A' ' 21' ' ' LYS . 1.3 mt -84.64 90.58 7.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.4 ' CG ' ' HD2' ' A' ' 57' ' ' PRO . 19.7 t70 -172.45 139.56 0.98 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.647 0.737 . . . . 0.0 110.85 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.4 ' HD2' ' CG ' ' A' ' 56' ' ' ASP . 53.7 Cg_endo . . . . . 0 C--N 1.342 0.217 0 C-N-CA 122.655 2.236 . . . . 0.0 112.348 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.564 ' CH2' HD13 ' A' ' 39' ' ' LEU . 23.9 m95 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.773 0.321 . . . . 0.0 110.954 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 60.3 mtt180 -104.8 157.83 16.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -44.34 -47.95 9.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 44.6 p -57.81 -50.06 74.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.148 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -56.19 -41.93 76.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.526 ' OD2' HD21 ' A' ' 55' ' ' LEU . 0.5 OUTLIER -68.82 -46.63 68.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.899 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -54.53 -47.17 73.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 27.0 mt -63.11 -44.44 99.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.877 ' O ' HG23 ' A' ' 24' ' ' VAL . 37.0 tp -61.21 -59.18 5.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.472 ' HG3' HD13 ' A' ' 55' ' ' LEU . 27.3 mtmt -42.64 -59.3 1.96 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 25' ' ' MET . . . -57.11 -63.99 1.03 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.066 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -39.14 -52.11 1.9 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.081 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.877 HG23 ' O ' ' A' ' 20' ' ' LEU . 42.5 t -51.52 -37.78 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.087 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.423 ' N ' ' O ' ' A' ' 22' ' ' ALA . 18.1 mmt -74.69 -35.29 62.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.85 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -70.1 -62.34 1.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -78.42 -32.56 48.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.936 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.49 ' CA ' ' O ' ' A' ' 24' ' ' VAL . . . 107.78 170.75 21.78 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.427 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.0 mttp -81.67 41.27 0.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.832 0.348 . . . . 0.0 110.95 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 -132.05 -34.53 1.27 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -85.88 40.72 0.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 52.8 m95 -54.81 -40.15 69.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.495 ' HA ' ' HB2' ' A' ' 44' ' ' ALA . 89.8 p -64.35 -39.79 94.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.95 -40.76 65.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.893 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.604 HG21 HD12 ' A' ' 20' ' ' LEU . 90.1 mt -58.47 -38.99 73.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.11 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.97 -41.94 71.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.128 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.1 m -51.82 -40.97 61.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.846 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.5 mt -55.75 -45.82 77.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.564 HD13 ' CH2' ' A' ' 12' ' ' TRP . 10.5 mt -87.03 123.29 31.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -69.6 134.62 48.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 40.6 mtm-85 68.36 43.91 1.4 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.828 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.558 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 21.1 mmtm -139.49 170.48 15.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.1 t -153.6 161.28 42.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.495 ' HB2' ' HA ' ' A' ' 33' ' ' SER . . . -42.48 -62.37 0.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.132 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.2 tptp -41.94 -52.17 4.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -59.31 -51.56 69.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 67.1 m -52.41 -48.35 65.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.0 tttm -64.23 -45.02 90.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.19 -64.34 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.047 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.513 ' HG2' ' CD2' ' A' ' 12' ' ' TRP . 8.3 tpt180 -47.31 -41.12 18.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.539 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 38.8 t-105 -63.24 -71.89 0.15 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.958 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -55.91 -20.55 16.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -64.76 -56.84 11.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.951 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.417 ' CD1' ' NH1' ' A' ' 50' ' ' ARG . 4.9 m95 -128.01 -41.2 1.63 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.952 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.554 HD12 HD23 ' A' ' 20' ' ' LEU . 1.1 mt -81.76 90.44 6.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.912 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.414 ' CG ' ' HD2' ' A' ' 57' ' ' PRO . 9.6 t70 -173.33 140.28 0.87 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.581 0.705 . . . . 0.0 110.859 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.414 ' HD2' ' CG ' ' A' ' 56' ' ' ASP . 54.1 Cg_endo . . . . . 0 C--N 1.342 0.185 0 C-N-CA 122.63 2.22 . . . . 0.0 112.344 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.473 ' CH2' HD13 ' A' ' 39' ' ' LEU . 29.1 m95 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.798 0.333 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.7 mmt85 -105.7 157.34 17.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.838 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -40.38 -54.43 2.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 21.6 p -55.51 -59.67 4.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.464 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 6.7 mm-40 -42.94 -41.88 3.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -66.71 -44.71 80.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -56.52 -52.11 65.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.483 ' HB ' HD21 ' A' ' 39' ' ' LEU . 23.4 mt -53.28 -49.62 51.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.766 HD12 HG21 ' A' ' 35' ' ' ILE . 17.0 tp -62.9 -59.61 4.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.953 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.574 ' HG3' HD13 ' A' ' 55' ' ' LEU . 24.4 mtpp -42.98 -53.33 4.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.93 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 25' ' ' MET . . . -60.08 -66.06 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.086 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -38.98 -51.66 1.8 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.636 HG22 HD13 ' A' ' 35' ' ' ILE . 88.4 t -52.32 -38.18 24.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.165 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.415 ' N ' ' O ' ' A' ' 22' ' ' ALA . 8.0 mmt -70.28 -31.21 68.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.552 ' HD3' ' CE1' ' A' ' 27' ' ' TYR . 36.5 tttm -80.39 -66.06 0.93 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.858 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.552 ' CE1' ' HD3' ' A' ' 26' ' ' LYS . 4.3 m-85 -71.21 -29.19 64.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.912 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.465 ' CA ' ' O ' ' A' ' 24' ' ' VAL . . . 107.42 177.94 22.53 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.533 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.463 ' HG2' ' CG1' ' A' ' 24' ' ' VAL . 28.2 mttp -88.12 29.79 0.92 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.787 0.327 . . . . 0.0 110.898 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -123.16 -35.05 3.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -82.81 45.74 1.02 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.43 ' CD1' ' HD2' ' A' ' 48' ' ' LYS . 60.8 m95 -58.4 -39.89 80.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.2 p -62.35 -47.14 85.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.7 ttt180 -64.2 -41.42 97.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.766 HG21 HD12 ' A' ' 20' ' ' LEU . 61.8 mt -60.73 -44.05 96.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.69 -44.5 66.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.136 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.8 m -46.36 -42.42 14.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.482 HD11 ' HE2' ' A' ' 27' ' ' TYR . 21.1 mt -53.18 -52.47 58.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.93 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.483 HD21 ' HB ' ' A' ' 19' ' ' ILE . 4.1 mt -80.34 130.88 35.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.489 ' CE1' ' HG2' ' A' ' 41' ' ' ARG . 31.3 t60 -74.61 133.68 42.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.489 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 1.5 mmp_? 68.11 38.06 2.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.84 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -132.33 147.52 52.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 62.1 m -127.16 165.56 19.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -50.14 -52.11 37.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.059 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.9 mmmt -48.58 -50.85 30.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.872 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -59.45 -46.0 90.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 66.9 m -59.06 -48.49 81.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.43 ' HD2' ' CD1' ' A' ' 32' ' ' TRP . 12.6 tttp -64.79 -46.4 82.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.5 -63.24 1.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.104 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 -47.64 -40.88 20.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.495 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 19.5 t-105 -67.03 -69.16 0.33 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -57.04 -18.09 12.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -69.53 -55.05 11.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 4.3 m95 -126.78 -40.86 1.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.574 HD13 ' HG3' ' A' ' 21' ' ' LYS . 1.3 mt -82.71 89.08 6.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.933 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -170.72 137.02 1.17 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.632 0.73 . . . . 0.0 110.859 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.341 0.182 0 C-N-CA 122.671 2.247 . . . . 0.0 112.375 -179.974 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.575 ' CE3' ' HB3' ' A' ' 16' ' ' GLU . 30.3 m95 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.756 0.312 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.7 mmm180 -100.56 157.58 16.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.828 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 -40.26 -54.24 2.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.2 p -54.55 -59.25 4.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.094 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.575 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 7.4 mm-40 -43.76 -44.62 6.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.939 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.72 -49.13 61.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -53.53 -46.68 70.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 46.1 mt -60.11 -49.41 84.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.132 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.654 HD23 HD12 ' A' ' 55' ' ' LEU . 22.8 tp -58.14 -65.75 0.59 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.456 ' C ' ' O ' ' A' ' 20' ' ' LEU . 9.7 mtmm -33.99 -52.22 0.44 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 25' ' ' MET . . . -68.27 -60.95 2.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.091 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -39.54 -52.1 2.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.094 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.486 ' O ' ' CA ' ' A' ' 28' ' ' GLY . 66.4 t -49.18 -37.73 10.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.414 ' N ' ' O ' ' A' ' 22' ' ' ALA . 16.2 mmt -77.94 -34.05 51.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.7 ttpt -69.15 -61.31 1.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -82.07 -34.45 29.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.937 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.486 ' CA ' ' O ' ' A' ' 24' ' ' VAL . . . 113.76 174.94 18.95 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.484 ' HG2' ' CG1' ' A' ' 24' ' ' VAL . 41.9 mttp -86.04 21.58 1.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.792 0.329 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -116.14 -33.35 5.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -86.47 45.58 1.26 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 52.1 m95 -57.83 -38.32 75.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.5 m -62.28 -49.96 73.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.888 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 43.7 ttt180 -62.02 -43.24 99.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.602 HG21 HD12 ' A' ' 20' ' ' LEU . 76.2 mt -55.87 -42.17 69.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.144 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.34 -35.17 64.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.05 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.1 t -58.92 -39.23 80.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.9 mt -59.11 -43.18 91.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.945 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.416 HD22 ' OE1' ' A' ' 16' ' ' GLU . 7.1 mt -86.26 138.05 32.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.574 ' CD2' ' HG2' ' A' ' 41' ' ' ARG . 11.0 t-160 -84.11 133.89 34.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.574 ' HG2' ' CD2' ' A' ' 40' ' ' HIS . 15.3 mmm180 67.26 43.72 1.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.429 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 27.2 mmtt -139.66 161.27 37.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.2 t -142.54 163.16 33.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.881 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -47.51 -41.35 20.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.095 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.414 ' C ' ' HD3' ' A' ' 45' ' ' LYS . 1.2 tmtp? -56.84 -54.45 46.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.864 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 42.9 mm-40 -63.34 -46.96 84.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 61.8 m -56.57 -45.48 81.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.8 tttm -69.74 -43.41 72.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.943 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.17 -65.41 0.68 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.111 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.44 ' HG2' ' CE2' ' A' ' 12' ' ' TRP . 6.3 tpt180 -43.95 -40.94 4.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.552 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 31.3 t-105 -63.58 -70.05 0.24 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -56.95 -18.73 14.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.905 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -67.37 -56.29 10.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 6.3 m95 -127.81 -40.7 1.7 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.654 HD12 HD23 ' A' ' 20' ' ' LEU . 0.8 OUTLIER -81.87 89.38 6.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -170.64 141.72 1.57 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.536 0.684 . . . . 0.0 110.886 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.149 0 C-N-CA 122.711 2.274 . . . . 0.0 112.348 -179.987 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.579 ' CE3' ' HB3' ' A' ' 16' ' ' GLU . 12.8 m95 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.763 0.316 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 14' ' ' ASN . 57.3 mtt180 -100.29 147.49 25.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 13' ' ' ARG . 20.7 t-20 -36.02 -55.24 0.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.5 p -50.79 -58.76 5.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.119 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.579 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 7.5 mm-40 -46.46 -49.94 17.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.14 -44.3 97.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -56.82 -56.01 27.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 21.5 mt -53.9 -44.33 60.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.1 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.771 ' O ' HG23 ' A' ' 24' ' ' VAL . 21.2 tp -62.99 -58.1 8.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.614 ' HG3' HD13 ' A' ' 55' ' ' LEU . 6.6 mtpm? -42.03 -58.7 1.99 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.69 -64.78 0.7 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.102 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.67 -54.36 5.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.078 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.771 HG23 ' O ' ' A' ' 20' ' ' LEU . 40.5 t -50.02 -29.13 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 6.4 mmt -82.69 -25.4 33.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.611 ' HD2' ' CE1' ' A' ' 27' ' ' TYR . 21.2 ttmt -91.96 -62.05 1.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.862 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.803 ' HE2' HD11 ' A' ' 38' ' ' LEU . 5.8 m-85 -72.85 -35.07 67.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.976 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 100.22 179.47 30.01 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.473 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.06 42.76 1.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.823 0.344 . . . . 0.0 110.866 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -132.79 -33.17 1.21 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.835 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -91.09 38.25 0.96 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 54.9 m95 -52.65 -36.67 57.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.41 ' HA ' ' HB2' ' A' ' 44' ' ' ALA . 3.7 m -60.0 -43.72 95.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.3 ttt-85 -71.64 -51.66 21.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.853 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.662 HG21 HD12 ' A' ' 20' ' ' LEU . 46.0 mt -43.84 -50.43 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.141 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -45.12 -38.39 5.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.092 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.9 t -53.9 -39.4 65.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.818 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.803 HD11 ' HE2' ' A' ' 27' ' ' TYR . 38.6 mt -60.19 -44.08 95.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.516 HD13 ' CH2' ' A' ' 12' ' ' TRP . 10.3 mt -87.24 150.84 23.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.444 ' CE1' ' HG2' ' A' ' 41' ' ' ARG . 13.6 t-80 -100.77 137.65 38.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.83 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.444 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 1.6 mmp_? 67.64 34.94 4.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.847 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -136.18 151.15 49.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 44' ' ' ALA . 73.2 m -126.84 153.61 45.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.41 ' HB2' ' HA ' ' A' ' 33' ' ' SER . . . -37.44 -47.93 0.91 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.175 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -49.55 -57.06 7.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -55.68 -58.94 5.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 92.8 m -46.41 -39.81 11.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.4 tttm -70.36 -39.81 74.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.99 -65.29 0.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.098 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.507 ' HG2' ' CD2' ' A' ' 12' ' ' TRP . 6.4 tpt180 -43.29 -34.16 1.14 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.542 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 13.0 t-105 -74.01 -70.62 0.38 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.41 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 15.1 m-85 -57.16 -13.74 3.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.95 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.418 ' O ' ' CE3' ' A' ' 54' ' ' TRP . 14.8 mt-10 -75.65 -51.53 12.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.418 ' CE3' ' O ' ' A' ' 53' ' ' GLU . 4.9 m95 -127.85 -41.88 1.62 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.614 HD13 ' HG3' ' A' ' 21' ' ' LYS . 0.9 OUTLIER -85.23 90.76 7.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.883 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.417 ' CG ' ' HD2' ' A' ' 57' ' ' PRO . 18.9 t70 -171.55 139.91 1.18 Allowed Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.612 0.72 . . . . 0.0 110.847 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.417 ' HD2' ' CG ' ' A' ' 56' ' ' ASP . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.173 0 C-N-CA 122.698 2.265 . . . . 0.0 112.323 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.639 ' CH2' HD13 ' A' ' 39' ' ' LEU . 52.8 m95 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.788 0.328 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 53.8 mtt85 -127.31 164.87 20.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.835 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -44.65 -46.19 10.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 34.3 p -60.4 -56.43 21.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.184 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.469 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 41.8 mt-10 -48.66 -46.8 40.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.644 ' OD1' HD11 ' A' ' 55' ' ' LEU . 8.7 m-20 -60.1 -48.89 79.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -54.3 -54.44 40.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 26.5 mt -56.7 -58.49 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.13 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.759 ' O ' HG23 ' A' ' 24' ' ' VAL . 22.8 tp -50.51 -55.31 16.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.959 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.575 ' HG3' HD13 ' A' ' 55' ' ' LEU . 26.9 mtpt -45.61 -53.23 9.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' A' ' 25' ' ' MET . . . -63.5 -60.92 2.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.105 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -38.98 -51.58 1.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.759 HG23 ' O ' ' A' ' 20' ' ' LEU . 58.3 t -48.06 -39.54 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.404 ' N ' ' O ' ' A' ' 22' ' ' ALA . 10.1 mmt -76.74 -34.24 58.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.521 ' HD3' ' CE1' ' A' ' 27' ' ' TYR . 45.8 tttm -73.09 -64.26 1.01 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.521 ' CE1' ' HD3' ' A' ' 26' ' ' LYS . 86.5 m-85 -77.33 -31.99 54.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.495 ' CA ' ' O ' ' A' ' 24' ' ' VAL . . . 113.02 173.73 18.9 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.456 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.462 ' O ' ' NE1' ' A' ' 32' ' ' TRP . 43.1 mttt -86.62 18.62 3.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.8 0.333 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 -116.17 -29.79 6.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -83.71 39.06 0.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.476 ' CZ3' HG22 ' A' ' 24' ' ' VAL . 54.9 m95 -55.38 -40.87 71.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.615 ' HA ' ' HB2' ' A' ' 44' ' ' ALA . 4.4 t -63.21 -48.36 78.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 35.1 ttt85 -64.4 -43.91 92.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.427 HG21 HD12 ' A' ' 20' ' ' LEU . 97.8 mt -55.62 -47.31 79.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -45.37 -43.86 11.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 54.5 m -47.57 -41.63 21.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.4 mt -56.03 -45.87 79.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.921 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.639 HD13 ' CH2' ' A' ' 12' ' ' TRP . 8.0 mt -86.45 131.46 34.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -76.65 134.16 39.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.856 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 27.1 mtm180 67.06 40.16 2.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.539 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 33.5 mmtm -138.16 138.26 38.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 44' ' ' ALA . 7.9 t -117.69 155.75 29.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.615 ' HB2' ' HA ' ' A' ' 33' ' ' SER . . . -35.88 -59.99 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.068 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.5 tppt? -38.02 -61.79 0.62 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.416 ' N ' ' CD ' ' A' ' 46' ' ' GLN . 0.9 OUTLIER -47.71 -61.95 1.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 70.9 m -41.19 -43.51 2.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -72.58 -40.64 66.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.86 -65.29 0.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.517 ' HG2' ' CD2' ' A' ' 12' ' ' TRP . 6.5 tpt180 -43.55 -39.51 3.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.481 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 24.2 t-105 -66.11 -73.03 0.14 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.957 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -53.69 -19.2 3.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -67.76 -55.52 12.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 5.1 m95 -127.97 -40.22 1.71 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.943 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.644 HD11 ' OD1' ' A' ' 17' ' ' ASP . 1.1 mt -83.15 93.09 7.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.43 ' CG ' ' HD2' ' A' ' 57' ' ' PRO . 10.6 t70 -173.75 139.94 0.8 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.667 0.746 . . . . 0.0 110.832 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.43 ' HD2' ' CG ' ' A' ' 56' ' ' ASP . 54.1 Cg_endo . . . . . 0 C--N 1.342 0.204 0 C-N-CA 122.68 2.253 . . . . 0.0 112.393 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.566 ' CZ2' ' HD2' ' A' ' 42' ' ' LYS . 62.4 m95 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.773 0.32 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 38.5 mtp85 -121.66 161.38 22.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.867 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -40.83 -39.64 1.17 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 26.1 p -66.51 -57.43 7.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.424 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 32.0 mt-10 -48.92 -43.21 39.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.72 -47.07 82.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -57.84 -49.38 76.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.902 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.9 mt -60.22 -56.14 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.101 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.502 HD12 HG21 ' A' ' 35' ' ' ILE . 18.1 tp -55.12 -58.3 8.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.826 ' HE2' HD22 ' A' ' 55' ' ' LEU . 49.0 mttt -42.47 -59.21 1.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.82 -61.13 2.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.095 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.07 -51.08 14.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.094 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.645 HG13 ' HG3' ' A' ' 29' ' ' LYS . 55.1 t -51.96 -26.24 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.6 mmt -84.68 -28.62 26.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.413 ' HD3' ' CE1' ' A' ' 27' ' ' TYR . 19.2 tttp -88.24 -60.85 1.85 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.413 ' CE1' ' HD3' ' A' ' 26' ' ' LYS . 32.1 m-85 -74.97 -30.8 61.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.66 177.87 32.41 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.472 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.645 ' HG3' HG13 ' A' ' 24' ' ' VAL . 0.8 OUTLIER -91.23 35.99 0.93 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.783 0.325 . . . . 0.0 110.891 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 -124.82 -32.04 3.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -91.41 38.62 0.98 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.608 ' CZ3' HG22 ' A' ' 24' ' ' VAL . 45.3 m95 -52.04 -36.01 48.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.946 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.523 ' HA ' ' HB2' ' A' ' 44' ' ' ALA . 44.8 m -62.96 -43.95 97.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 -179.82 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 53.3 ttt180 -71.54 -52.11 19.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.502 HG21 HD12 ' A' ' 20' ' ' LEU . 71.7 mt -44.46 -49.13 2.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.119 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -45.89 -42.04 12.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.14 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.0 t -47.46 -40.41 18.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.7 mt -54.36 -47.15 72.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.425 HD11 ' HB2' ' A' ' 20' ' ' LEU . 5.1 mt -93.26 162.12 14.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.951 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.46 ' O ' ' N ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -104.74 172.75 6.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 179.887 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 24.5 mtt180 40.08 25.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.566 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 31.0 mmtt -122.98 158.78 29.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 44' ' ' ALA . 60.6 p -139.25 149.16 43.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.905 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.523 ' HB2' ' HA ' ' A' ' 33' ' ' SER . . . -35.57 -44.54 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.44 -59.3 3.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 20.7 mm-40 -55.4 -57.89 10.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 87.4 m -45.49 -37.72 5.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 51.9 tttt -76.08 -41.65 49.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.67 -65.22 0.89 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.086 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.516 ' HG2' ' CE2' ' A' ' 12' ' ' TRP . 7.2 tpt180 -42.26 -39.29 2.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.548 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 14.1 t-105 -68.62 -71.86 0.2 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.43 ' CD1' ' CD1' ' A' ' 51' ' ' TRP . 15.4 m-85 -56.42 -13.61 2.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.93 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -74.1 -54.64 7.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 4.6 m95 -127.08 -31.17 2.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.826 HD22 ' HE2' ' A' ' 21' ' ' LYS . 1.1 mt -93.39 91.37 7.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -171.44 143.14 1.48 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.571 0.7 . . . . 0.0 110.868 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.157 0 C-N-CA 122.646 2.231 . . . . 0.0 112.352 -179.951 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.617 ' CH2' HD13 ' A' ' 39' ' ' LEU . 45.2 m95 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.797 0.332 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 14' ' ' ASN . 19.7 mtp180 -124.64 149.83 46.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.823 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.446 ' C ' ' O ' ' A' ' 13' ' ' ARG . 1.1 p30 -34.71 -56.65 0.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 22.4 p -54.56 -65.18 0.62 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.144 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.44 ' HA ' HD12 ' A' ' 19' ' ' ILE . 39.8 mt-10 -39.35 -41.5 0.93 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.24 -45.3 85.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.835 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -57.82 -40.86 80.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.44 HD12 ' HA ' ' A' ' 16' ' ' GLU . 17.9 mt -65.39 -50.19 74.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.15 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.773 HD23 HD12 ' A' ' 55' ' ' LEU . 36.5 tp -54.66 -65.32 0.6 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.492 ' HZ2' HD22 ' A' ' 55' ' ' LEU . 9.6 mtmm -39.81 -58.61 1.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.1 -61.65 2.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.136 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.91 -54.92 4.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.069 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 20' ' ' LEU . 67.8 t -50.89 -33.11 12.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.143 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 8.6 mmt -78.11 -26.55 48.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -88.93 -65.05 1.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.668 ' HE2' HD11 ' A' ' 38' ' ' LEU . 5.5 m-85 -69.45 -35.03 75.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 103.67 -175.14 23.21 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.475 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.6 mttm -91.7 37.58 0.97 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.837 0.351 . . . . 0.0 110.892 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -128.78 -37.87 1.72 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -85.25 42.38 0.94 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 52.5 m95 -57.65 -37.53 73.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.936 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.458 ' HA ' ' HB2' ' A' ' 44' ' ' ALA . 54.5 p -63.01 -50.78 69.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -60.66 -47.54 85.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.579 HG21 HD12 ' A' ' 20' ' ' LEU . 77.4 mt -47.84 -50.23 9.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.107 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.751 ' HB1' ' O ' ' A' ' 42' ' ' LYS . . . -49.16 -35.25 16.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.5 t -56.15 -37.81 70.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.668 HD11 ' HE2' ' A' ' 27' ' ' TYR . 21.3 mt -60.2 -46.83 88.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.947 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.617 HD13 ' CH2' ' A' ' 12' ' ' TRP . 3.8 mt -83.68 157.95 22.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -100.75 132.99 45.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.834 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 39.2 mtt180 66.52 34.24 6.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.751 ' O ' ' HB1' ' A' ' 36' ' ' ALA . 39.4 mmtt -139.08 123.16 17.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.3 t -104.32 174.11 6.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.458 ' HB2' ' HA ' ' A' ' 33' ' ' SER . . . -48.08 -52.13 21.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.086 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.5 mmmt -47.06 -59.09 3.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.526 ' NE2' ' HA ' ' A' ' 42' ' ' LYS . 31.3 mt-30 -55.91 -49.83 72.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 65.2 m -53.56 -42.41 67.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.89 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.0 tttm -72.64 -39.4 67.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.51 -63.81 1.01 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.107 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.516 ' HG2' ' CE2' ' A' ' 12' ' ' TRP . 5.3 tpt180 -51.16 -38.3 51.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.551 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 20.2 t-105 -67.34 -69.17 0.33 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -57.32 -21.64 36.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.925 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -64.65 -54.57 29.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 4.3 m95 -127.84 -41.49 1.65 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.773 HD12 HD23 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -80.38 88.85 5.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.958 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -174.96 139.22 0.62 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.657 0.741 . . . . 0.0 110.835 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.342 0.186 0 C-N-CA 122.667 2.244 . . . . 0.0 112.339 -179.963 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.572 ' CZ2' ' HD2' ' A' ' 42' ' ' LYS . 17.1 m95 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.766 0.317 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 36.1 mtm-85 -118.49 160.03 22.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.878 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 26.7 p-10 -46.69 -51.55 15.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.6 p -57.13 -58.15 9.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.491 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 6.9 mm-40 -45.31 -39.47 6.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -67.28 -46.5 73.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -54.69 -46.72 74.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.546 ' HB ' HD21 ' A' ' 39' ' ' LEU . 20.2 mt -62.32 -46.14 97.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.615 HD23 HD12 ' A' ' 55' ' ' LEU . 37.1 tp -60.43 -58.01 10.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.547 ' HG3' HD13 ' A' ' 55' ' ' LEU . 24.8 mtmt -45.0 -52.99 8.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.22 -60.67 3.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.075 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -44.41 -46.87 9.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.104 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 20' ' ' LEU . 80.8 t -55.37 -32.38 29.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.151 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 11.9 mmt -78.98 -33.87 44.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.3 tttt -81.03 -63.92 1.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.418 ' CE1' HD11 ' A' ' 38' ' ' LEU . 74.4 m-85 -71.26 -33.18 69.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 105.83 174.6 23.78 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.521 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.1 mttt -88.83 30.68 0.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.766 0.317 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 -126.39 -28.86 3.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -89.66 40.32 0.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.413 ' CZ3' HG22 ' A' ' 24' ' ' VAL . 51.2 m95 -52.76 -37.2 59.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.446 ' HA ' ' HB2' ' A' ' 44' ' ' ALA . 2.6 m -63.22 -50.33 70.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.847 -179.815 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.7 ttt85 -63.07 -46.22 88.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.545 HG21 HD12 ' A' ' 20' ' ' LEU . 89.4 mt -51.02 -44.59 28.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.16 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.62 -41.13 41.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.079 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 30.9 t -52.11 -39.97 60.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.418 HD11 ' CE1' ' A' ' 27' ' ' TYR . 32.6 mt -58.86 -44.79 91.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.546 HD21 ' HB ' ' A' ' 19' ' ' ILE . 8.5 mt -87.04 133.99 33.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 13.8 t-160 -82.12 133.5 35.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.9 mmm180 68.66 41.06 1.71 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.572 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 21.4 mmtt -141.24 148.27 39.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.964 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 45.0 t -127.03 160.71 30.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.794 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.446 ' HB2' ' HA ' ' A' ' 33' ' ' SER . . . -42.96 -43.58 4.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.132 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.419 ' C ' ' HD3' ' A' ' 45' ' ' LYS . 11.2 tmtt? -51.56 -58.62 5.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.926 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 17.2 mp0 -58.14 -46.26 85.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 84.0 m -55.85 -44.65 78.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.2 tttt -69.47 -49.45 54.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.62 -65.24 0.71 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.044 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.509 ' HG2' ' CD2' ' A' ' 12' ' ' TRP . 10.4 tpt180 -40.23 -43.61 1.72 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.543 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 28.3 t-105 -63.73 -70.9 0.19 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -56.21 -15.1 3.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -72.33 -55.56 6.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.438 ' CD1' ' NH1' ' A' ' 50' ' ' ARG . 5.4 m95 -127.8 -38.98 1.83 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.615 HD12 HD23 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -85.08 90.6 7.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -166.79 142.41 3.63 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.634 0.731 . . . . 0.0 110.828 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.342 0.23 0 C-N-CA 122.645 2.23 . . . . 0.0 112.344 -179.984 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.572 ' CZ2' ' HD2' ' A' ' 42' ' ' LYS . 32.9 m95 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.756 0.313 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.7 mtt85 -113.31 163.22 15.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -50.07 -46.77 53.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.0 p -60.38 -50.29 74.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.154 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.523 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 7.1 mm-40 -52.51 -40.91 62.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.66 -41.6 83.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -59.88 -45.77 91.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 31.7 mt -64.24 -49.04 82.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.09 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.511 HD12 HG21 ' A' ' 35' ' ' ILE . 31.3 tp -59.36 -59.49 5.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.59 ' HG3' HD13 ' A' ' 55' ' ' LEU . 18.6 mtpp -41.69 -55.57 2.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.81 -59.35 5.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.12 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -44.82 -53.66 7.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.07 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.45 HG22 ' CZ3' ' A' ' 32' ' ' TRP . 73.8 t -49.74 -29.56 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.096 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 7.6 mmt -81.49 -35.76 30.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.507 ' HD3' ' CE1' ' A' ' 27' ' ' TYR . 24.5 tttt -78.75 -61.3 2.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.507 ' CE1' ' HD3' ' A' ' 26' ' ' LYS . 56.6 m-85 -73.56 -29.81 62.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.912 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 101.28 175.66 28.83 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.524 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.1 mtpt -89.59 36.05 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.794 0.33 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -127.62 -33.77 2.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -86.58 39.49 0.84 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.45 ' CZ3' HG22 ' A' ' 24' ' ' VAL . 56.4 m95 -52.67 -37.18 58.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.457 ' HA ' ' HB2' ' A' ' 44' ' ' ALA . 85.1 p -63.24 -48.38 78.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.835 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.9 ttt-85 -66.67 -48.26 69.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.511 HG21 HD12 ' A' ' 20' ' ' LEU . 83.0 mt -48.25 -44.12 12.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.19 -43.83 67.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.4 t -48.85 -41.36 32.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 20.6 mt -54.54 -50.39 68.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.435 HD13 ' CH2' ' A' ' 12' ' ' TRP . 3.3 mt -82.03 137.04 35.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -81.22 134.95 35.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 27.3 mtm-85 65.8 42.7 3.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.572 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 20.9 mmtp -141.32 146.64 36.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 58.2 m -126.08 165.75 18.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.83 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.457 ' HB2' ' HA ' ' A' ' 33' ' ' SER . . . -49.51 -43.99 45.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.09 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -50.76 -58.01 6.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.868 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -60.07 -47.38 86.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.913 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 68.9 m -54.16 -39.75 66.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.0 tttm -75.15 -47.92 26.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.5 -63.88 0.99 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.137 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.442 ' NH2' ' HB3' ' A' ' 12' ' ' TRP . 5.5 tpt180 -42.15 -42.38 2.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.865 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.511 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 8.3 t-105 -66.86 -70.74 0.23 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.476 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 46.8 m-85 -54.62 -16.19 2.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.947 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -72.82 -54.76 7.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.847 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 5.3 m95 -125.7 -37.1 2.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.59 HD13 ' HG3' ' A' ' 21' ' ' LYS . 1.0 OUTLIER -86.93 86.26 7.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -164.13 136.29 3.77 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.6 0.714 . . . . 0.0 110.853 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.146 0 C-N-CA 122.738 2.292 . . . . 0.0 112.311 -179.984 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.681 ' CH2' HD22 ' A' ' 20' ' ' LEU . 9.2 m95 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.745 0.307 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.3 mtm180 -94.33 149.28 21.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.863 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -44.6 -47.13 10.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 25.7 p -56.42 -56.51 20.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -53.15 -42.29 65.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.846 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -64.46 -44.55 90.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -59.27 -46.43 88.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 35.1 mt -65.25 -44.33 95.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.097 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.681 HD22 ' CH2' ' A' ' 12' ' ' TRP . 43.1 tp -59.87 -62.39 1.91 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.521 ' HG3' HD13 ' A' ' 55' ' ' LEU . 22.5 mtmt -41.43 -52.58 3.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.98 -63.97 1.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.127 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.489 ' HB1' HG12 ' A' ' 35' ' ' ILE . . . -43.86 -47.91 8.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.555 HG22 ' CZ3' ' A' ' 32' ' ' TRP . 53.3 t -55.06 -31.76 26.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 21.8 mmt -80.23 -33.35 38.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.6 tttp -77.96 -62.51 1.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -75.84 -34.29 60.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.42 173.07 20.18 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.491 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.446 ' HG3' ' CG1' ' A' ' 24' ' ' VAL . 3.4 mtmp? -85.31 28.68 0.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.816 0.341 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -126.49 -28.05 3.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -87.13 37.32 0.76 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.598 ' CD1' ' HE3' ' A' ' 48' ' ' LYS . 57.1 m95 -50.06 -63.59 1.07 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.4 t -40.9 -41.51 1.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.86 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.5 ttm-85 -68.64 -42.01 78.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.579 HG21 HD12 ' A' ' 20' ' ' LEU . 71.9 mt -64.97 -52.27 55.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -40.38 -43.44 1.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.104 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 30.0 t -51.14 -40.83 59.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.428 HD12 HG23 ' A' ' 35' ' ' ILE . 16.3 mt -55.23 -47.41 75.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.7 mt -87.37 152.14 22.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.486 ' CE1' ' HG3' ' A' ' 41' ' ' ARG . 10.0 t-160 -92.93 140.95 28.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.486 ' HG3' ' CE1' ' A' ' 40' ' ' HIS . 24.5 mtm180 62.24 41.37 10.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.409 ' HE3' ' NE1' ' A' ' 12' ' ' TRP . 44.8 mmtm -140.91 141.09 34.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 44' ' ' ALA . 40.8 t -124.53 155.65 38.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.83 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 43' ' ' SER . . . -36.01 -51.72 0.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.141 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.407 ' C ' ' HD2' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -46.11 -56.55 5.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -53.82 -56.94 13.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 67.0 m -46.43 -46.2 18.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.598 ' HE3' ' CD1' ' A' ' 32' ' ' TRP . 7.8 ttmt -64.82 -53.61 44.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.07 -65.28 0.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.086 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.431 ' HG2' ' CE2' ' A' ' 12' ' ' TRP . 10.1 tpt180 -44.1 -38.2 3.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.858 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.542 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 40.6 t-105 -65.99 -67.79 0.42 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -59.19 -16.45 20.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.966 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -70.21 -56.71 6.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.844 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.402 ' CD1' ' NH1' ' A' ' 50' ' ' ARG . 5.7 m95 -128.04 -40.71 1.66 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.542 ' O ' ' CD2' ' A' ' 51' ' ' TRP . 0.8 OUTLIER -84.41 85.24 7.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.953 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.454 ' OD1' ' N ' ' A' ' 57' ' ' PRO . 1.2 t0 -165.78 133.17 2.25 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.622 0.725 . . . . 0.0 110.837 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.454 ' N ' ' OD1' ' A' ' 56' ' ' ASP . 53.5 Cg_endo . . . . . 0 C--N 1.342 0.219 0 C-N-CA 122.646 2.231 . . . . 0.0 112.318 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.501 ' CD2' ' HG2' ' A' ' 50' ' ' ARG . 57.0 m95 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.787 0.327 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 14' ' ' ASN . 15.4 mmm180 -112.48 154.56 25.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 13' ' ' ARG . 10.6 p-10 -36.21 -55.93 0.77 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 36.2 p -55.83 -63.84 1.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.144 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.441 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 7.1 mm-40 -39.21 -43.64 1.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.849 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.18 -46.2 78.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -56.28 -49.99 72.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.455 ' HB ' HD21 ' A' ' 39' ' ' LEU . 22.6 mt -56.83 -57.17 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.139 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.491 ' O ' HG23 ' A' ' 24' ' ' VAL . 13.4 tp -51.05 -58.62 5.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.598 ' HE2' HD22 ' A' ' 55' ' ' LEU . 12.8 mttm -39.98 -59.83 1.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 25' ' ' MET . . . -56.12 -61.4 2.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.059 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -38.96 -56.02 1.46 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.075 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 20' ' ' LEU . 61.9 t -50.95 -34.99 14.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.099 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.417 ' N ' ' O ' ' A' ' 22' ' ' ALA . 6.4 mmt -76.83 -29.65 56.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 48.5 tttt -85.33 -65.09 1.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -69.05 -32.92 72.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.55 170.67 26.75 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.528 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -82.64 40.26 0.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.836 0.35 . . . . 0.0 110.924 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -132.07 -37.09 1.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.948 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -85.3 39.1 0.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.425 ' CZ3' HG22 ' A' ' 24' ' ' VAL . 52.7 m95 -52.14 -40.92 62.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.889 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.1 t -64.26 -44.08 92.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.5 ttt85 -67.61 -38.21 83.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.849 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.432 HG21 HD12 ' A' ' 20' ' ' LEU . 85.7 mt -60.72 -44.85 98.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.161 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.408 ' HB1' ' O ' ' A' ' 42' ' ' LYS . . . -50.52 -45.15 56.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.147 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.9 m -47.87 -41.21 23.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.0 mt -55.55 -45.78 77.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.455 HD21 ' HB ' ' A' ' 19' ' ' ILE . 5.9 mt -87.61 153.03 21.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.534 ' CE1' ' HG3' ' A' ' 41' ' ' ARG . 9.7 t-160 -96.65 139.14 33.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.534 ' HG3' ' CE1' ' A' ' 40' ' ' HIS . 31.4 mtm180 63.21 33.29 14.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.408 ' O ' ' HB1' ' A' ' 36' ' ' ALA . 29.0 mmtp -137.03 132.72 34.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.5 t -116.73 165.15 13.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -41.19 -42.91 2.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.086 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -57.24 -46.78 82.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -64.75 -54.52 30.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 90.0 m -54.95 -43.58 73.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.2 tttt -68.71 -39.31 80.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.83 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.11 -65.27 0.75 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.098 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.501 ' HG2' ' CD2' ' A' ' 12' ' ' TRP . 7.2 tpt180 -46.13 -34.75 4.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.548 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 41.2 t-105 -69.55 -73.15 0.16 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -54.11 -20.74 7.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.938 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -64.97 -61.71 2.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.864 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 4.2 m95 -122.67 -39.58 2.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.598 HD22 ' HE2' ' A' ' 21' ' ' LYS . 1.1 mt -85.06 89.75 7.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.94 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.413 ' CG ' ' HD2' ' A' ' 57' ' ' PRO . 16.0 t70 -171.09 140.42 1.3 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.581 0.705 . . . . 0.0 110.88 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.413 ' HD2' ' CG ' ' A' ' 56' ' ' ASP . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.153 0 C-N-CA 122.695 2.263 . . . . 0.0 112.364 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.515 ' CD2' ' HG2' ' A' ' 50' ' ' ARG . 10.7 m95 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.733 0.301 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -128.71 149.17 50.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.868 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.4 p-10 -43.67 -43.7 5.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.9 p -63.06 -41.37 99.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.2 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.504 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 40.5 mt-10 -63.11 -33.16 74.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.479 ' HB3' ' CE ' ' A' ' 21' ' ' LYS . 0.7 OUTLIER -73.4 -45.45 54.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.813 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -53.78 -44.31 69.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.44 ' HB ' HD21 ' A' ' 39' ' ' LEU . 20.9 mt -67.53 -47.25 81.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.638 HD23 HD12 ' A' ' 55' ' ' LEU . 40.1 tp -58.35 -66.75 0.44 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.554 ' HG3' HD13 ' A' ' 55' ' ' LEU . 28.1 mtmt -37.18 -61.61 0.56 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.3 -63.72 1.03 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.098 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -42.45 -57.53 2.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.462 HG22 ' CZ3' ' A' ' 32' ' ' TRP . 98.9 t -50.69 -30.94 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.139 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.5 mmt -80.61 -27.05 37.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.9 tttm -87.15 -61.84 1.63 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.915 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.616 ' HE2' HD11 ' A' ' 38' ' ' LEU . 4.3 m-85 -73.74 -31.81 63.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.33 176.14 27.51 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.499 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 40.8 mttt -84.26 39.81 0.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.8 0.333 . . . . 0.0 110.926 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 -133.15 -36.69 1.0 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLN . . . . . 0.413 ' NE2' ' HB3' ' A' ' 27' ' ' TYR . 21.5 mt-30 -84.15 40.14 0.75 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.602 ' HA ' HD12 ' A' ' 35' ' ' ILE . 53.9 m95 -53.42 -64.09 0.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.523 ' HA ' ' HB2' ' A' ' 44' ' ' ALA . 2.1 t -40.35 -45.86 2.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.3 ttm-85 -64.46 -50.4 67.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.602 HD12 ' HA ' ' A' ' 32' ' ' TRP . 44.5 mt -50.01 -44.51 21.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.085 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.91 -35.21 44.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.159 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.8 t -56.2 -39.25 72.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.812 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.616 HD11 ' HE2' ' A' ' 27' ' ' TYR . 26.5 mt -58.28 -45.18 88.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.967 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.484 HD13 ' CH2' ' A' ' 12' ' ' TRP . 9.3 mt -87.96 139.93 30.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.959 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -83.28 137.61 33.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? 63.99 41.78 6.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.508 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 35.0 mmtm -138.91 137.78 36.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 44' ' ' ALA . 23.0 t -120.0 155.8 32.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.523 ' HB2' ' HA ' ' A' ' 33' ' ' SER . . . -36.46 -53.19 0.86 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.127 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 35.2 tptt -46.02 -50.12 15.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -60.21 -58.19 9.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 90.1 m -46.33 -42.77 15.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.7 tttp -69.01 -45.34 70.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.61 -65.35 0.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.106 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.515 ' HG2' ' CD2' ' A' ' 12' ' ' TRP . 7.0 tpt180 -48.0 -35.28 10.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.553 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 29.9 t-105 -70.24 -70.41 0.3 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -58.41 -14.36 7.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.942 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -70.95 -58.67 3.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.932 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 4.7 m95 -123.81 -41.26 2.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.638 HD12 HD23 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -84.5 88.05 7.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.942 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.425 ' CG ' ' HD2' ' A' ' 57' ' ' PRO . 12.2 t70 -174.96 139.79 0.63 Allowed Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.63 0.728 . . . . 0.0 110.882 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.425 ' HD2' ' CG ' ' A' ' 56' ' ' ASP . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.225 0 C-N-CA 122.661 2.241 . . . . 0.0 112.386 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 19.0 m95 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.784 0.326 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 21.2 mtm180 -107.61 152.15 24.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -38.35 -55.32 1.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.6 p -51.11 -67.11 0.28 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.139 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -39.19 -40.36 0.72 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -69.76 -44.88 69.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.86 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -58.51 -47.36 84.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.488 ' HB ' HD21 ' A' ' 39' ' ' LEU . 18.6 mt -61.08 -47.69 92.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.139 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.613 ' O ' HG23 ' A' ' 24' ' ' VAL . 26.2 tp -59.26 -63.91 1.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.922 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.489 ' CG ' HD13 ' A' ' 55' ' ' LEU . 44.1 mtmt -41.46 -52.24 3.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.49 -60.35 3.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.08 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -42.66 -53.77 4.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.079 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 20' ' ' LEU . 50.0 t -49.85 -31.1 6.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.142 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 8.4 mmt -80.97 -27.63 35.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.1 tttp -90.1 -63.8 1.23 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -71.32 -31.31 67.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 101.24 170.79 28.31 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.485 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.3 mttp -84.68 17.02 2.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.783 0.325 . . . . 0.0 110.867 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -116.4 -8.88 11.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -108.33 34.29 3.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.448 ' CZ3' HG22 ' A' ' 24' ' ' VAL . 56.0 m95 -50.07 -50.48 47.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.7 t -50.83 -35.86 34.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.821 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 24.6 ttt85 -79.08 -43.49 24.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.57 HG21 HD12 ' A' ' 20' ' ' LEU . 50.5 mt -56.96 -43.88 81.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.189 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.512 ' HB1' ' HA ' ' A' ' 43' ' ' SER . . . -53.31 -41.56 65.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.085 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.7 t -54.81 -38.64 67.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 17.2 mt -58.28 -42.18 86.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.488 HD21 ' HB ' ' A' ' 19' ' ' ILE . 6.8 mt -88.1 148.35 24.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -89.01 131.85 35.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 66.9 mtm-85 66.47 42.94 2.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -141.67 154.57 45.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.512 ' HA ' ' HB1' ' A' ' 36' ' ' ALA . 42.7 m -140.7 158.81 43.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -38.67 -43.37 0.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.117 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.2 -56.57 17.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -60.61 -49.76 76.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 92.4 m -52.59 -43.58 65.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.2 tttm -69.47 -41.03 76.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.3 -65.13 0.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -45.95 -38.72 7.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.831 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.544 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 36.9 t-105 -64.41 -68.56 0.34 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -57.91 -20.73 39.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.943 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -65.05 -57.37 8.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 7.6 m95 -127.31 -42.66 1.67 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.562 HD12 HD23 ' A' ' 20' ' ' LEU . 0.7 OUTLIER -81.67 84.99 6.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -167.51 132.54 1.6 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.573 0.701 . . . . 0.0 110.888 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.135 0 C-N-CA 122.698 2.265 . . . . 0.0 112.345 -179.977 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.585 ' CE3' ' HB3' ' A' ' 16' ' ' GLU . 21.7 m95 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.754 0.311 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 41.0 mtp180 -111.12 163.81 13.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -47.56 -44.84 26.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 21.0 p -61.96 -60.44 3.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.141 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.585 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 6.5 mm-40 -43.49 -45.06 6.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.829 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -65.11 -42.37 94.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -58.73 -51.33 70.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.464 ' HB ' HD21 ' A' ' 39' ' ' LEU . 19.9 mt -58.35 -50.61 77.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.134 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.776 HD12 HG21 ' A' ' 35' ' ' ILE . 18.8 tp -58.74 -60.34 3.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.532 ' HG3' HD13 ' A' ' 55' ' ' LEU . 17.3 mtpp -40.62 -59.73 1.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.918 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 25' ' ' MET . . . -52.75 -62.91 1.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.061 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.581 ' HB1' HG12 ' A' ' 35' ' ' ILE . . . -39.11 -55.19 1.66 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.115 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.5 HG22 ' CZ3' ' A' ' 32' ' ' TRP . 92.4 t -51.56 -36.86 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.417 ' N ' ' O ' ' A' ' 22' ' ' ALA . 29.8 mmt -73.08 -31.97 64.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.571 ' HD3' ' CE1' ' A' ' 27' ' ' TYR . 43.5 tttm -82.26 -66.03 0.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.571 ' CE1' ' HD3' ' A' ' 26' ' ' LYS . 4.8 m-85 -69.42 -31.89 70.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.937 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.415 ' CA ' ' O ' ' A' ' 24' ' ' VAL . . . 105.34 175.32 24.23 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.482 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.0 mttt -84.89 36.36 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.812 0.339 . . . . 0.0 110.883 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -130.97 -32.26 1.64 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -86.26 39.93 0.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.5 ' CZ3' HG22 ' A' ' 24' ' ' VAL . 58.3 m95 -54.97 -41.43 71.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 34.8 p -57.92 -51.15 70.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.3 ttt85 -60.52 -51.89 67.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.776 HG21 HD12 ' A' ' 20' ' ' LEU . 78.1 mt -45.37 -47.45 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.147 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.31 -36.08 30.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.103 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.6 t -54.37 -41.46 69.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.507 HD11 ' HE2' ' A' ' 27' ' ' TYR . 24.5 mt -57.12 -49.13 76.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.932 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.53 HD22 ' CD ' ' A' ' 16' ' ' GLU . 7.6 mt -86.22 137.94 32.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.551 ' CD2' ' HG3' ' A' ' 41' ' ' ARG . 1.2 p-80 -84.88 142.22 29.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.551 ' HG3' ' CD2' ' A' ' 40' ' ' HIS . 39.2 mtt180 64.52 37.07 8.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.53 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 22.9 mmtm -134.84 154.08 51.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.8 m -138.08 159.41 42.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.859 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -40.94 -43.27 2.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.116 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.59 -56.33 22.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -59.55 -46.56 88.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 63.8 m -57.32 -47.77 80.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.9 tttt -66.09 -44.79 83.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.945 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.7 -63.01 1.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.102 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.504 ' HG2' ' CD2' ' A' ' 12' ' ' TRP . 10.1 tpt180 -47.81 -40.72 21.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.508 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 38.8 t-105 -64.36 -71.84 0.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -56.19 -19.26 12.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -66.34 -56.69 9.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 4.2 m95 -127.96 -41.07 1.65 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.532 HD13 ' HG3' ' A' ' 21' ' ' LYS . 1.4 mt -81.39 91.5 6.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.908 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -173.92 140.91 0.82 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.594 0.712 . . . . 0.0 110.86 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 N--CA 1.465 -0.152 0 C-N-CA 122.708 2.272 . . . . 0.0 112.367 -179.973 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.549 ' CZ2' ' HD2' ' A' ' 42' ' ' LYS . 28.6 m95 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.78 0.324 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.2 mtp180 -119.62 157.43 28.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -43.49 -47.06 7.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.1 p -63.07 -59.85 4.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.442 ' OE1' HD22 ' A' ' 39' ' ' LEU . 7.3 mm-40 -44.25 -44.33 7.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.89 -48.53 68.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -51.47 -47.57 63.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.0 mt -62.12 -48.28 89.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.108 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.846 ' O ' HG23 ' A' ' 24' ' ' VAL . 32.9 tp -58.12 -57.15 14.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.586 ' HG3' HD13 ' A' ' 55' ' ' LEU . 17.8 mtmt -44.65 -67.02 0.32 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -48.11 -60.69 2.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.133 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.23 -50.66 6.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.078 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.846 HG23 ' O ' ' A' ' 20' ' ' LEU . 47.9 t -55.29 -30.19 24.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.114 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 1.5 mtp -79.18 -36.98 39.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.562 ' HD3' ' CE1' ' A' ' 27' ' ' TYR . 36.1 tttp -75.07 -58.35 3.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.562 ' CE1' ' HD3' ' A' ' 26' ' ' LYS . 5.9 m-85 -80.94 -20.33 42.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.883 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.496 ' CA ' ' O ' ' A' ' 24' ' ' VAL . . . 96.83 -174.47 30.38 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt -96.33 25.14 5.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.809 0.338 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -112.32 -37.28 5.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -84.51 51.04 2.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 56.6 m95 -62.92 -43.54 98.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.59 ' HA ' ' HB2' ' A' ' 44' ' ' ALA . 37.9 p -57.53 -50.8 71.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.817 -179.749 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.0 ttt180 -60.67 -49.82 75.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.714 HG21 HD12 ' A' ' 20' ' ' LEU . 78.6 mt -48.9 -42.99 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.079 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.73 -41.7 74.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.07 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.7 t -49.96 -42.14 48.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.467 HD11 ' HE2' ' A' ' 27' ' ' TYR . 10.3 mt -54.1 -49.36 69.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.933 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.496 HD13 ' CZ3' ' A' ' 12' ' ' TRP . 7.0 mt -84.21 130.93 34.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.525 ' CE1' ' HG2' ' A' ' 41' ' ' ARG . 42.2 t60 -74.67 136.39 41.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.525 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 1.7 mmp_? 66.31 40.65 3.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.828 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.549 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 42.9 mmtm -135.24 145.85 48.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 44' ' ' ALA . 72.5 p -129.52 148.88 51.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.903 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.59 ' HB2' ' HA ' ' A' ' 33' ' ' SER . . . -34.95 -46.51 0.31 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.091 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -49.54 -58.27 5.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -59.49 -44.03 93.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.889 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 62.4 m -57.19 -42.36 81.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -71.97 -43.44 65.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.53 -63.99 0.95 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.424 ' CZ ' ' HB2' ' A' ' 12' ' ' TRP . 10.5 tpt180 -44.58 -41.36 6.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.462 ' NE1' ' OD1' ' A' ' 56' ' ' ASP . 21.5 t-105 -66.07 -72.93 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.953 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -55.18 -16.18 2.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.914 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -71.13 -54.05 12.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 4.6 m95 -128.03 -41.43 1.62 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.923 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.586 HD13 ' HG3' ' A' ' 21' ' ' LYS . 1.2 mt -82.64 94.03 7.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.952 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.462 ' OD1' ' NE1' ' A' ' 51' ' ' TRP . 5.4 t70 -174.84 140.81 0.68 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.539 0.685 . . . . 0.0 110.888 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.424 ' HD2' ' CG ' ' A' ' 56' ' ' ASP . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.135 0 C-N-CA 122.699 2.266 . . . . 0.0 112.329 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.7 p -128.38 164.03 23.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.842 0.354 . . . . 0.0 110.883 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.8 t -54.31 139.78 35.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.47 -166.75 32.84 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.494 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.7 p -128.92 -54.54 1.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.893 0.378 . . . . 0.0 110.867 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.7 p -68.76 152.16 45.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.882 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.99 178.62 38.43 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.494 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -78.42 101.97 7.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.819 0.343 . . . . 0.0 110.903 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 10' ' ' GLY . . . 53.53 54.29 30.97 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.452 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 9' ' ' GLY . . . -34.38 147.17 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.487 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.416 ' O ' ' CD1' ' A' ' 12' ' ' TRP . 35.5 m -58.87 176.37 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.818 0.342 . . . . 0.0 111.165 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.577 ' CH2' HD22 ' A' ' 20' ' ' LEU . 21.0 m95 -152.48 137.85 17.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 14' ' ' ASN . 38.6 mmm-85 -109.36 147.64 32.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 13' ' ' ARG . 16.5 p-10 -34.73 -53.41 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.2 p -50.68 -61.19 2.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.431 ' HA ' ' CD2' ' A' ' 39' ' ' LEU . 56.9 mt-10 -47.41 -45.31 25.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.942 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.21 -45.76 90.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -55.82 -49.44 73.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.1 mt -64.54 -46.63 92.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.577 HD22 ' CH2' ' A' ' 12' ' ' TRP . 37.8 tp -59.69 -61.49 2.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.567 ' HG3' HD13 ' A' ' 55' ' ' LEU . 6.5 mtpm? -43.53 -47.52 7.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 25' ' ' MET . . . -64.36 -66.37 0.55 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -39.05 -55.67 1.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.089 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.473 ' CG2' ' CZ3' ' A' ' 32' ' ' TRP . 80.0 t -52.5 -33.95 18.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.152 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.448 ' N ' ' O ' ' A' ' 22' ' ' ALA . 12.6 mmt -76.34 -31.27 58.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.908 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.0 tttp -82.44 -63.61 1.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.455 ' HE2' HD11 ' A' ' 38' ' ' LEU . 5.1 m-85 -72.9 -30.17 63.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.851 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.406 ' CA ' ' O ' ' A' ' 24' ' ' VAL . . . 104.06 174.49 25.45 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.49 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.433 ' HE3' ' CZ2' ' A' ' 51' ' ' TRP . 11.7 mttp -85.74 43.22 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.786 0.327 . . . . 0.0 110.877 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -131.29 -39.29 1.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.87 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -82.91 38.11 0.57 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.473 ' CZ3' ' CG2' ' A' ' 24' ' ' VAL . 56.9 m95 -52.04 -38.02 55.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.966 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 61.9 p -62.53 -51.79 66.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -60.12 -42.86 95.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.856 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.401 HD13 HG22 ' A' ' 24' ' ' VAL . 70.3 mt -57.92 -43.91 85.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.15 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.69 -41.14 42.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.08 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.9 m -54.82 -38.83 67.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.455 HD11 ' HE2' ' A' ' 27' ' ' TYR . 23.6 mt -55.47 -46.61 76.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.858 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.504 HD13 ' CH2' ' A' ' 12' ' ' TRP . 6.3 mt -90.65 139.43 30.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.548 ' CD2' ' HG3' ' A' ' 41' ' ' ARG . 2.8 p-80 -82.12 133.1 35.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.548 ' HG3' ' CD2' ' A' ' 40' ' ' HIS . 8.9 mtt-85 71.26 35.27 1.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.839 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.9 mmtm -131.53 154.5 48.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 37.4 p -141.55 163.19 33.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.852 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -43.92 -42.78 6.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.064 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.14 -48.35 80.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -66.14 -54.62 23.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.938 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 88.4 m -52.36 -43.78 64.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.8 tttm -70.19 -42.27 72.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.902 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.22 -65.23 0.7 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.509 ' HG2' ' CE2' ' A' ' 12' ' ' TRP . 5.9 tpt180 -45.04 -40.26 6.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.539 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 34.1 t-105 -63.62 -71.57 0.17 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -54.6 -21.71 11.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.966 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -64.79 -59.62 4.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.92 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.412 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 5.3 m95 -123.85 -42.5 2.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.928 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.567 HD13 ' HG3' ' A' ' 21' ' ' LYS . 0.9 OUTLIER -82.83 89.23 6.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.529 ' O ' HD12 ' A' ' 59' ' ' ILE . 7.8 t70 -168.13 139.84 2.36 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.594 0.711 . . . . 0.0 110.841 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.423 ' HD2' ' CG ' ' A' ' 56' ' ' ASP . 53.5 Cg_endo -69.82 -50.51 0.45 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.674 2.249 . . . . 0.0 112.314 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.6 t -38.86 -39.34 0.51 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.847 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.529 HD12 ' O ' ' A' ' 56' ' ' ASP . 70.3 mt -40.23 140.34 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.111 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 34.7 mtmt -75.83 88.17 2.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.448 ' HA ' ' CE ' ' A' ' 61' ' ' LYS . 2.0 mmpt? -106.26 152.62 23.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 69.0 p -68.49 142.61 55.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.137 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -113.86 81.94 1.61 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.84 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 12.6 m95 41.57 41.78 1.77 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 44.2 p -161.46 125.04 3.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -103.24 -94.63 2.3 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.492 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 101.16 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.626 2.217 . . . . 0.0 112.351 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.8 m -117.52 137.82 52.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.853 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 77.0 p -66.71 161.66 22.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.516 -179.941 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.1 m -73.93 -54.07 8.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.898 0.38 . . . . 0.0 110.851 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -163.06 136.87 5.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.85 57.47 0.44 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.486 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.4 m -120.61 112.12 18.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.861 0.363 . . . . 0.0 110.869 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.5 t -48.21 -64.07 0.9 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.822 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.27 -63.95 0.61 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.48 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.5 mmtm -137.76 165.39 26.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.819 0.343 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.428 ' HA3' ' CD ' ' A' ' 46' ' ' GLN . . . -112.7 -33.3 2.08 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.495 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 9' ' ' GLY . . . -35.1 -56.37 0.87 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.473 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.414 ' O ' ' CD1' ' A' ' 12' ' ' TRP . 6.7 p -63.15 143.92 15.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.796 0.331 . . . . 0.0 111.101 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.612 ' CH2' HD13 ' A' ' 39' ' ' LEU . 6.9 m95 -145.51 174.91 10.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.9 mmt180 -126.76 146.41 50.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.888 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -42.67 -47.17 5.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 36.5 p -58.72 -51.65 69.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.559 ' HB3' ' CZ3' ' A' ' 12' ' ' TRP . 21.1 mt-10 -53.98 -42.87 69.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.86 -46.34 88.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -61.61 -53.5 55.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 21.9 mt -58.07 -47.35 87.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.152 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.582 HD12 HG21 ' A' ' 35' ' ' ILE . 21.7 tp -60.47 -60.76 3.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.612 ' HG3' HD13 ' A' ' 55' ' ' LEU . 18.8 mtpp -41.75 -50.58 4.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.36 -59.59 5.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.098 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 26' ' ' LYS . . . -42.31 -55.06 3.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.091 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.453 HG22 ' CZ3' ' A' ' 32' ' ' TRP . 59.6 t -45.15 -35.19 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.6 mmt -78.0 -27.98 49.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.555 ' HD2' ' CD1' ' A' ' 27' ' ' TYR . 6.2 tmtt? -84.05 -63.88 1.27 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.555 ' CD1' ' HD2' ' A' ' 26' ' ' LYS . 36.1 m-85 -73.56 -35.07 65.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 108.87 176.7 21.63 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.482 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 43.0 mttp -87.53 28.02 1.03 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.864 0.364 . . . . 0.0 110.948 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -124.69 -30.19 3.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -85.07 30.32 0.6 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.453 ' CZ3' HG22 ' A' ' 24' ' ' VAL . 51.5 m95 -47.58 -37.85 13.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.697 ' HA ' ' HB2' ' A' ' 44' ' ' ALA . 69.9 m -62.89 -50.92 69.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.862 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 38.5 ttt85 -62.72 -46.88 86.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.582 HG21 HD12 ' A' ' 20' ' ' LEU . 86.7 mt -49.0 -50.16 14.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -44.68 -42.78 7.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.092 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.1 t -50.39 -41.47 52.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.4 mt -55.19 -50.58 69.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.612 HD13 ' CH2' ' A' ' 12' ' ' TRP . 6.8 mt -84.16 136.04 34.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.452 ' CD2' ' HG3' ' A' ' 41' ' ' ARG . 2.2 p-80 -83.72 138.07 33.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.452 ' HG3' ' CD2' ' A' ' 40' ' ' HIS . 40.3 mtt-85 69.46 39.31 1.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.493 ' HE2' ' CE2' ' A' ' 12' ' ' TRP . 44.2 mmtm -140.54 171.91 13.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.3 t -151.54 164.67 36.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.697 ' HB2' ' HA ' ' A' ' 33' ' ' SER . . . -46.02 -54.75 7.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.075 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.7 tmtm? -46.62 -53.14 12.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.428 ' CD ' ' HA3' ' A' ' 9' ' ' GLY . 11.8 mm100 -60.25 -50.53 73.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 69.1 m -53.18 -38.39 62.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 42.8 tttm -74.69 -40.17 61.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.415 ' O ' ' CG ' ' A' ' 53' ' ' GLU . . . -70.02 -64.56 0.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.49 ' HG2' ' CE2' ' A' ' 12' ' ' TRP . 6.6 tpt180 -44.72 -39.07 4.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.506 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 29.3 t-105 -66.58 -73.12 0.14 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -54.45 -17.78 3.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.953 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.415 ' CG ' ' O ' ' A' ' 49' ' ' ALA . 4.7 mm-40 -68.71 -55.87 9.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.451 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 4.2 m95 -127.94 -38.46 1.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.612 HD13 ' HG3' ' A' ' 21' ' ' LYS . 1.4 mt -83.85 91.84 7.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.42 ' CG ' ' HD2' ' A' ' 57' ' ' PRO . 14.1 t70 -173.37 140.13 0.86 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.6 0.714 . . . . 0.0 110.831 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.42 ' HD2' ' CG ' ' A' ' 56' ' ' ASP . 53.4 Cg_endo -69.84 -48.15 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.676 2.25 . . . . 0.0 112.315 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.3 t -41.55 -40.52 1.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.451 ' CD1' ' O ' ' A' ' 54' ' ' TRP . 85.2 mt -37.9 141.13 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.096 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.3 ptmt -90.08 83.11 6.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -108.38 -55.48 2.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.0 t -146.59 163.16 36.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.146 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -67.4 158.33 31.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 15.7 m-90 -57.77 108.08 0.53 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.916 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.7 p -75.71 -50.72 14.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.82 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 112.63 142.75 8.61 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.526 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -36.75 10.2 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.702 2.268 . . . . 0.0 112.328 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.1 t -80.76 43.8 0.7 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.9 m -93.82 136.87 33.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.484 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.9 m -96.09 121.41 37.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.879 0.371 . . . . 0.0 110.859 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.6 m 52.08 46.23 26.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.32 116.13 0.74 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.479 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.1 m -73.98 84.24 1.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.841 0.353 . . . . 0.0 110.869 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 m -119.56 79.91 1.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.8 73.13 0.43 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.43 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.1 mtmm -88.54 -52.38 5.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.786 0.326 . . . . 0.0 110.892 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 113.94 85.8 1.4 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.467 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -176.58 -58.5 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.468 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.5 p -69.85 146.16 12.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.795 0.331 . . . . 0.0 111.163 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.583 ' CE3' ' HB3' ' A' ' 16' ' ' GLU . 7.6 m95 -142.88 154.9 44.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 14' ' ' ASN . 25.1 mtt180 -112.21 148.39 34.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 13' ' ' ARG . 9.7 p-10 -37.79 -53.83 1.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 40.7 p -54.81 -59.24 4.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.583 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 7.3 mm-40 -43.27 -43.55 4.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.888 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.52 -47.64 66.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -52.17 -42.47 63.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.463 ' HB ' HD21 ' A' ' 39' ' ' LEU . 21.3 mt -69.07 -53.49 25.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.191 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.68 HD12 HG21 ' A' ' 35' ' ' ILE . 27.8 tp -54.63 -63.73 1.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.629 ' HG3' HD13 ' A' ' 55' ' ' LEU . 17.2 mtpp -38.43 -56.24 1.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.09 -55.95 25.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.87 -51.15 42.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.094 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.489 ' CG1' ' HG3' ' A' ' 29' ' ' LYS . 98.8 t -56.41 -26.0 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.15 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 7.5 mmt -84.3 -27.18 28.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 59.8 tttt -87.36 -60.86 1.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.559 ' HE2' HD11 ' A' ' 38' ' ' LEU . 6.7 m-85 -76.03 -31.23 58.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.9 169.69 26.27 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.519 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.489 ' HG3' ' CG1' ' A' ' 24' ' ' VAL . 14.8 mtmm -80.72 43.22 0.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.798 0.332 . . . . 0.0 110.861 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 50.9 m-80 -133.22 -38.12 0.96 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -83.68 49.5 1.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.449 ' CZ3' HG22 ' A' ' 24' ' ' VAL . 64.1 m95 -63.44 -48.44 77.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.63 ' HA ' ' HB2' ' A' ' 44' ' ' ALA . 78.0 p -55.01 -34.83 63.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -79.34 -44.58 21.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.68 HG21 HD12 ' A' ' 20' ' ' LEU . 62.0 mt -55.91 -50.98 65.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.107 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -45.0 -36.73 3.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.131 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 46.8 t -56.72 -39.95 74.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.559 HD11 ' HE2' ' A' ' 27' ' ' TYR . 18.1 mt -54.33 -45.25 72.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.878 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.475 HD13 ' CH2' ' A' ' 12' ' ' TRP . 6.1 mt -89.8 133.17 34.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.529 ' CE1' ' HG2' ' A' ' 41' ' ' ARG . 16.0 t-80 -76.34 138.72 40.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.529 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 16.3 mmt180 65.21 33.21 9.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.834 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.477 ' HE3' ' NE1' ' A' ' 12' ' ' TRP . 34.2 mmtm -132.05 135.43 46.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.918 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 32.8 p -113.43 158.71 20.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.63 ' HB2' ' HA ' ' A' ' 33' ' ' SER . . . -42.51 -44.43 4.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.147 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.7 tttt -55.66 -52.69 62.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.873 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -55.17 -40.05 70.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 64.6 m -64.6 -55.52 19.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 49.2 tttm -58.01 -49.88 75.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.61 -65.25 0.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.113 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.451 ' CZ ' ' HB2' ' A' ' 12' ' ' TRP . 10.3 tpt180 -46.8 -35.91 6.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.545 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 31.9 t-105 -68.59 -70.33 0.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -55.93 -19.24 11.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -67.4 -59.63 3.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.477 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 5.7 m95 -123.76 -41.69 2.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.629 HD13 ' HG3' ' A' ' 21' ' ' LYS . 0.9 OUTLIER -82.32 88.96 6.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.637 ' O ' HD12 ' A' ' 59' ' ' ILE . 8.3 t70 -170.47 139.81 1.45 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.621 0.724 . . . . 0.0 110.899 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.424 ' HD2' ' CG ' ' A' ' 56' ' ' ASP . 53.8 Cg_endo -69.75 -49.4 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.737 2.292 . . . . 0.0 112.326 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 22.7 t -40.31 -38.1 0.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.824 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.637 HD12 ' O ' ' A' ' 56' ' ' ASP . 59.6 mt -40.61 141.61 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.4 ptmm? -91.51 44.73 1.19 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.9 tttp -100.39 157.84 16.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 63' ' ' GLU . 4.2 t -49.96 -31.33 12.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.182 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 62' ' ' THR . 0.8 OUTLIER 37.82 38.59 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.459 ' CG ' ' N ' ' A' ' 65' ' ' SER . 5.4 p90 -45.14 -42.85 9.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.93 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.459 ' N ' ' CG ' ' A' ' 64' ' ' TRP . 54.6 m -52.57 -44.53 65.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -115.27 83.08 0.33 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.491 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -2.09 9.6 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.718 2.279 . . . . 0.0 112.333 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 68.5 m -40.38 -58.64 1.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.838 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.3 m -95.54 126.43 40.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.424 -179.977 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -157.12 107.93 2.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.887 0.375 . . . . 0.0 110.861 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.2 t -154.86 132.23 11.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.58 -97.7 0.12 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.495 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.7 t -131.22 -43.37 1.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.882 0.372 . . . . 0.0 110.896 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 m -58.17 131.86 51.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.836 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.85 102.35 2.15 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.483 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.6 pttt -132.33 -42.67 0.96 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.862 0.363 . . . . 0.0 110.923 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 10' ' ' GLY . . . 172.48 -38.85 0.16 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.53 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 9' ' ' GLY . . . -35.15 -70.48 0.18 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.467 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.496 ' O ' ' CD1' ' A' ' 12' ' ' TRP . 27.7 m -67.7 159.63 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.778 0.323 . . . . 0.0 111.124 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.496 ' CD1' ' O ' ' A' ' 11' ' ' VAL . 9.7 m95 -152.28 139.83 19.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.944 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.434 ' O ' ' C ' ' A' ' 14' ' ' ASN . 29.0 mtm180 -106.77 143.67 34.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.434 ' C ' ' O ' ' A' ' 13' ' ' ARG . 2.5 p30 -35.12 -54.02 0.6 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 27.7 p -49.53 -57.66 6.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.14 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.451 ' HA ' ' CD2' ' A' ' 39' ' ' LEU . 43.1 mt-10 -53.51 -40.75 65.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.0 -49.18 73.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.832 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -55.21 -53.52 54.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 26.4 mt -55.25 -42.82 68.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.142 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.793 ' O ' HG23 ' A' ' 24' ' ' VAL . 27.2 tp -65.59 -61.04 2.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.556 ' CG ' HD13 ' A' ' 55' ' ' LEU . 52.1 mtmt -44.64 -59.39 2.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.99 -59.03 5.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.9 -50.56 8.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.13 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.793 HG23 ' O ' ' A' ' 20' ' ' LEU . 48.9 t -51.24 -34.81 15.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.105 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.4 mmt -77.06 -34.38 57.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.405 ' HE2' ' CZ ' ' A' ' 27' ' ' TYR . 51.1 tttt -78.81 -64.83 1.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.405 ' CZ ' ' HE2' ' A' ' 26' ' ' LYS . 55.0 m-85 -71.11 -32.02 68.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 105.13 -178.57 23.64 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.464 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 85.2 mttt -93.7 29.63 1.99 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -122.95 -33.67 3.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -85.76 37.29 0.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.4 ' HA ' HD12 ' A' ' 35' ' ' ILE . 53.7 m95 -50.61 -39.95 51.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.6 p -63.11 -48.92 76.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 48.0 ttt85 -63.26 -44.9 93.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.845 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.4 HD12 ' HA ' ' A' ' 32' ' ' TRP . 79.6 mt -52.5 -49.92 41.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.512 ' HB1' ' O ' ' A' ' 42' ' ' LYS . . . -46.99 -40.68 14.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.095 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.0 t -48.29 -42.05 29.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.846 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.5 mt -54.73 -45.53 74.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.923 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.451 ' CD2' ' HA ' ' A' ' 16' ' ' GLU . 7.9 mt -87.47 141.68 28.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.912 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.551 ' CE1' ' HG2' ' A' ' 41' ' ' ARG . 50.2 t60 -83.62 134.35 34.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.551 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 12.3 mmm180 63.63 47.07 3.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.512 ' O ' ' HB1' ' A' ' 36' ' ' ALA . 43.3 mmtm -143.14 134.96 26.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 17.7 m -116.23 160.75 20.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -41.78 -44.67 3.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.121 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.6 tptp -52.73 -46.54 67.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.423 ' CD ' ' HA3' ' A' ' 9' ' ' GLY . 20.1 mm-40 -65.09 -54.42 30.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 68.5 m -51.18 -43.22 61.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.3 tttm -71.4 -37.47 71.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.42 -65.31 0.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.06 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -47.63 -37.14 12.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.55 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 38.5 t-105 -66.06 -69.18 0.32 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -57.41 -21.66 37.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -64.16 -58.48 6.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.462 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 5.2 m95 -125.9 -42.4 1.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.556 HD13 ' CG ' ' A' ' 21' ' ' LYS . 0.9 OUTLIER -82.7 84.52 7.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 58' ' ' SER . 0.8 OUTLIER -167.36 133.66 1.78 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.589 0.709 . . . . 0.0 110.85 179.879 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.402 ' N ' ' OD1' ' A' ' 56' ' ' ASP . 53.4 Cg_endo -69.77 -42.86 3.02 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.637 2.225 . . . . 0.0 112.346 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.49 ' N ' ' OD1' ' A' ' 56' ' ' ASP . 40.0 t -51.29 -30.76 19.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.462 ' CD1' ' O ' ' A' ' 54' ' ' TRP . 91.8 mt -39.16 147.65 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.091 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.0 mtpp -93.22 102.43 14.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.935 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 70.3 mttt -152.53 169.05 23.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.916 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 42.4 p -128.53 97.42 4.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.14 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -47.67 165.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 26.2 m-90 -140.97 117.83 11.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 83.3 p -57.52 154.16 11.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -79.07 -65.89 1.76 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.505 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.426 ' HG2' ' C ' ' A' ' 70' ' ' GLY . 53.8 Cg_endo -69.76 121.09 7.78 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.685 2.257 . . . . 0.0 112.315 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 45.3 m -61.77 -44.39 96.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 23.3 t -76.27 -53.86 7.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.883 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.426 ' C ' ' HG2' ' A' ' 67' ' ' PRO . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.464 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.3 p -96.75 42.2 1.09 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.878 0.37 . . . . 0.0 110.851 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.9 p -117.3 133.9 55.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.88 170.15 41.37 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.522 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 m -128.36 -50.76 1.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.882 0.373 . . . . 0.0 110.857 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.9 t -94.34 41.95 1.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.917 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.64 -170.66 35.24 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.501 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.5 mmtt -75.73 129.2 36.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.847 0.356 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -142.2 74.09 0.35 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.516 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.71 -161.71 0.4 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.509 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.51 ' O ' ' CD1' ' A' ' 12' ' ' TRP . 33.4 m -106.01 165.64 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.829 0.347 . . . . 0.0 111.131 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.539 ' CZ2' ' HD2' ' A' ' 42' ' ' LYS . 36.4 m95 -155.69 131.94 10.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.957 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.3 mmm180 -108.25 155.88 19.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.844 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -38.99 -56.14 1.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 14.0 p -55.1 -60.4 3.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.168 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -42.97 -38.8 2.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.62 -46.05 49.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -56.83 -35.5 68.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.461 ' HB ' HD21 ' A' ' 39' ' ' LEU . 27.6 mt -69.09 -41.88 81.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.793 HD23 HD12 ' A' ' 55' ' ' LEU . 30.6 tp -60.71 -69.04 0.25 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.897 ' HD2' HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -34.19 -57.14 0.49 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.836 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.86 -63.06 1.27 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.175 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -44.96 -53.2 7.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.099 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 76.0 t -50.68 -32.32 10.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.14 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 12.1 mmt -77.38 -36.99 53.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.5 tttp -77.87 -62.85 1.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.923 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.464 ' CD2' ' HD3' ' A' ' 34' ' ' ARG . 70.8 m-85 -71.32 -30.06 65.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.864 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 100.13 170.28 29.6 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.438 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.49 ' HE3' ' CZ2' ' A' ' 51' ' ' TRP . 26.6 mttp -84.2 37.66 0.63 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.806 0.336 . . . . 0.0 110.875 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -130.3 -31.41 1.86 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -88.64 37.93 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 48.3 m95 -49.28 -39.55 31.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 40.1 t -62.05 -47.59 84.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.85 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.464 ' HD3' ' CD2' ' A' ' 27' ' ' TYR . 26.3 ttt180 -66.52 -42.5 87.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.852 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.538 HG21 HD12 ' A' ' 20' ' ' LEU . 88.5 mt -56.1 -39.6 59.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.03 -43.56 91.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.092 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 58.3 m -49.03 -42.1 37.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.9 mt -55.03 -42.68 72.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.461 HD21 ' HB ' ' A' ' 19' ' ' ILE . 6.9 mt -91.57 125.32 36.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -70.33 134.31 47.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.912 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 26.4 mmm-85 67.25 43.11 2.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.859 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.539 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 23.3 mmtm -141.1 137.11 32.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.0 t -119.19 159.42 24.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -43.4 -41.93 4.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.075 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.2 tmtt? -56.1 -50.81 70.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -63.07 -44.16 96.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 69.3 m -59.21 -46.2 89.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.3 tttt -66.6 -47.64 72.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.8 -63.21 1.28 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.116 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.519 ' HG2' ' CD2' ' A' ' 12' ' ' TRP . 5.8 tpt180 -46.08 -39.38 9.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.52 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 24.5 t-105 -66.8 -74.22 0.12 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -53.14 -19.94 3.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.964 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -66.27 -55.79 14.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.837 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.453 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 4.6 m95 -127.93 -38.07 1.87 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.897 HD13 ' HD2' ' A' ' 21' ' ' LYS . 1.3 mt -84.64 90.58 7.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.498 ' O ' HD12 ' A' ' 59' ' ' ILE . 19.7 t70 -172.45 139.56 0.98 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.647 0.737 . . . . 0.0 110.85 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.4 ' HD2' ' CG ' ' A' ' 56' ' ' ASP . 53.7 Cg_endo -69.74 -45.74 1.49 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.655 2.236 . . . . 0.0 112.348 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.4 t -43.74 -37.8 2.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.825 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.498 HD12 ' O ' ' A' ' 56' ' ' ASP . 69.0 mt -40.73 140.21 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.158 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.5 mtpp -91.34 44.29 1.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.4 ttmt -104.17 41.52 1.3 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.933 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.1 t -168.52 138.11 2.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.15 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 64' ' ' TRP . 20.3 tt0 -65.27 -61.64 2.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.867 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.411 ' C ' ' O ' ' A' ' 63' ' ' GLU . 4.8 t90 -37.56 118.77 0.67 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.924 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 41.6 t -90.08 117.9 29.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.838 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -119.32 86.17 0.4 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.481 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 137.14 34.62 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.682 2.254 . . . . 0.0 112.335 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.6 t -100.09 -57.28 2.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.6 p -94.93 163.43 13.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.823 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.464 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 m -134.09 143.87 48.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.906 0.384 . . . . 0.0 110.858 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.0 p -71.82 148.45 46.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.84 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.9 128.63 2.88 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.451 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.7 m -53.04 -53.42 50.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.875 0.369 . . . . 0.0 110.897 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.5 p -62.95 176.71 0.67 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.855 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.73 117.09 0.48 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.498 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.31 162.97 23.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.818 0.342 . . . . 0.0 110.913 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -164.25 129.66 2.04 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.533 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -129.76 147.17 17.86 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.487 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.444 ' O ' ' CD1' ' A' ' 12' ' ' TRP . 33.6 m -63.94 172.0 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.841 0.353 . . . . 0.0 111.107 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.564 ' CH2' HD13 ' A' ' 39' ' ' LEU . 23.9 m95 -153.19 129.4 10.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.954 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 60.3 mtt180 -104.8 157.83 16.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -44.34 -47.95 9.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 44.6 p -57.81 -50.06 74.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.148 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -56.19 -41.93 76.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.526 ' OD2' HD21 ' A' ' 55' ' ' LEU . 0.5 OUTLIER -68.82 -46.63 68.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.899 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -54.53 -47.17 73.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 27.0 mt -63.11 -44.44 99.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.877 ' O ' HG23 ' A' ' 24' ' ' VAL . 37.0 tp -61.21 -59.18 5.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.472 ' HG3' HD13 ' A' ' 55' ' ' LEU . 27.3 mtmt -42.64 -59.3 1.96 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 25' ' ' MET . . . -57.11 -63.99 1.03 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.066 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -39.14 -52.11 1.9 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.081 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.877 HG23 ' O ' ' A' ' 20' ' ' LEU . 42.5 t -51.52 -37.78 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.087 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.423 ' N ' ' O ' ' A' ' 22' ' ' ALA . 18.1 mmt -74.69 -35.29 62.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.85 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -70.1 -62.34 1.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -78.42 -32.56 48.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.936 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.49 ' CA ' ' O ' ' A' ' 24' ' ' VAL . . . 107.78 170.75 21.78 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.427 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.0 mttp -81.67 41.27 0.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.832 0.348 . . . . 0.0 110.95 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 -132.05 -34.53 1.27 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -85.88 40.72 0.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 52.8 m95 -54.81 -40.15 69.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.495 ' HA ' ' HB2' ' A' ' 44' ' ' ALA . 89.8 p -64.35 -39.79 94.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.95 -40.76 65.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.893 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.604 HG21 HD12 ' A' ' 20' ' ' LEU . 90.1 mt -58.47 -38.99 73.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.11 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.97 -41.94 71.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.128 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.1 m -51.82 -40.97 61.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.846 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.5 mt -55.75 -45.82 77.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.564 HD13 ' CH2' ' A' ' 12' ' ' TRP . 10.5 mt -87.03 123.29 31.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -69.6 134.62 48.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 40.6 mtm-85 68.36 43.91 1.4 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.828 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.558 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 21.1 mmtm -139.49 170.48 15.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.1 t -153.6 161.28 42.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.495 ' HB2' ' HA ' ' A' ' 33' ' ' SER . . . -42.48 -62.37 0.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.132 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.2 tptp -41.94 -52.17 4.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -59.31 -51.56 69.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 67.1 m -52.41 -48.35 65.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.0 tttm -64.23 -45.02 90.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.19 -64.34 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.047 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.513 ' HG2' ' CD2' ' A' ' 12' ' ' TRP . 8.3 tpt180 -47.31 -41.12 18.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.539 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 38.8 t-105 -63.24 -71.89 0.15 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.958 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -55.91 -20.55 16.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -64.76 -56.84 11.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.951 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.485 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 4.9 m95 -128.01 -41.2 1.63 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.952 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.554 HD12 HD23 ' A' ' 20' ' ' LEU . 1.1 mt -81.76 90.44 6.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.912 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.414 ' CG ' ' HD2' ' A' ' 57' ' ' PRO . 9.6 t70 -173.33 140.28 0.87 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.581 0.705 . . . . 0.0 110.859 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.414 ' HD2' ' CG ' ' A' ' 56' ' ' ASP . 54.1 Cg_endo -69.72 -49.94 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.63 2.22 . . . . 0.0 112.344 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.2 m -39.85 -40.52 1.0 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.485 ' CD1' ' O ' ' A' ' 54' ' ' TRP . 88.9 mt -37.69 138.24 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.175 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 32.2 mttt -123.04 96.4 5.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.8 -51.35 0.98 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 81.7 p -117.29 157.23 26.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -108.36 -45.95 3.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 24.7 t90 -79.97 114.08 18.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.937 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 78.1 p -91.03 120.59 32.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -69.6 -159.66 2.31 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.505 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 2.72 3.28 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.669 2.246 . . . . 0.0 112.389 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 25.4 p -166.51 137.95 3.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.83 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.8 m -47.38 -45.63 25.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.844 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.529 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.3 m 59.81 42.57 16.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.855 0.359 . . . . 0.0 110.865 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.8 t -64.45 126.87 29.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.862 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.75 -122.15 1.33 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.453 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 6' ' ' SER . 48.3 t -106.8 -60.7 1.63 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.899 0.381 . . . . 0.0 110.866 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 5' ' ' SER . 80.0 p 34.52 42.33 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.48 -172.31 18.93 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.478 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 9' ' ' GLY . 10.9 mmtp -61.56 -52.93 62.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.821 0.343 . . . . 0.0 110.889 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 8' ' ' LYS . . . -35.12 120.53 0.43 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.484 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.77 160.87 32.98 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.487 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.465 HG12 ' N ' ' A' ' 12' ' ' TRP . 67.4 t -76.62 155.75 5.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.831 0.348 . . . . 0.0 111.146 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.473 ' CH2' HD13 ' A' ' 39' ' ' LEU . 29.1 m95 -146.83 132.29 18.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.7 mmt85 -105.7 157.34 17.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.838 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -40.38 -54.43 2.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 21.6 p -55.51 -59.67 4.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.464 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 6.7 mm-40 -42.94 -41.88 3.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -66.71 -44.71 80.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -56.52 -52.11 65.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.483 ' HB ' HD21 ' A' ' 39' ' ' LEU . 23.4 mt -53.28 -49.62 51.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.766 HD12 HG21 ' A' ' 35' ' ' ILE . 17.0 tp -62.9 -59.61 4.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.953 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.574 ' HG3' HD13 ' A' ' 55' ' ' LEU . 24.4 mtpp -42.98 -53.33 4.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.93 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 25' ' ' MET . . . -60.08 -66.06 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.086 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -38.98 -51.66 1.8 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.636 HG22 HD13 ' A' ' 35' ' ' ILE . 88.4 t -52.32 -38.18 24.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.165 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.415 ' N ' ' O ' ' A' ' 22' ' ' ALA . 8.0 mmt -70.28 -31.21 68.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.552 ' HD3' ' CE1' ' A' ' 27' ' ' TYR . 36.5 tttm -80.39 -66.06 0.93 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.858 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.552 ' CE1' ' HD3' ' A' ' 26' ' ' LYS . 4.3 m-85 -71.21 -29.19 64.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.912 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.465 ' CA ' ' O ' ' A' ' 24' ' ' VAL . . . 107.42 177.94 22.53 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.533 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.463 ' HG2' ' CG1' ' A' ' 24' ' ' VAL . 28.2 mttp -88.12 29.79 0.92 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.787 0.327 . . . . 0.0 110.898 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -123.16 -35.05 3.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -82.81 45.74 1.02 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.43 ' CD1' ' HD2' ' A' ' 48' ' ' LYS . 60.8 m95 -58.4 -39.89 80.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.2 p -62.35 -47.14 85.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.7 ttt180 -64.2 -41.42 97.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.766 HG21 HD12 ' A' ' 20' ' ' LEU . 61.8 mt -60.73 -44.05 96.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.69 -44.5 66.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.136 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.8 m -46.36 -42.42 14.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.482 HD11 ' HE2' ' A' ' 27' ' ' TYR . 21.1 mt -53.18 -52.47 58.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.93 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.483 HD21 ' HB ' ' A' ' 19' ' ' ILE . 4.1 mt -80.34 130.88 35.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.489 ' CE1' ' HG2' ' A' ' 41' ' ' ARG . 31.3 t60 -74.61 133.68 42.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.489 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 1.5 mmp_? 68.11 38.06 2.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.84 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -132.33 147.52 52.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 62.1 m -127.16 165.56 19.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -50.14 -52.11 37.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.059 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.9 mmmt -48.58 -50.85 30.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.872 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -59.45 -46.0 90.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 66.9 m -59.06 -48.49 81.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.43 ' HD2' ' CD1' ' A' ' 32' ' ' TRP . 12.6 tttp -64.79 -46.4 82.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.5 -63.24 1.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.104 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 -47.64 -40.88 20.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.495 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 19.5 t-105 -67.03 -69.16 0.33 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -57.04 -18.09 12.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -69.53 -55.05 11.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.487 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 4.3 m95 -126.78 -40.86 1.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.574 HD13 ' HG3' ' A' ' 21' ' ' LYS . 1.3 mt -82.71 89.08 6.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.933 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.478 ' O ' HD12 ' A' ' 59' ' ' ILE . 9.7 t70 -170.72 137.02 1.17 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.632 0.73 . . . . 0.0 110.859 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -48.72 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.671 2.247 . . . . 0.0 112.375 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.0 m -45.12 -33.56 2.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.825 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.487 ' CD1' ' O ' ' A' ' 54' ' ' TRP . 87.3 mt -39.77 138.11 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.138 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -106.75 83.77 1.9 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.74 142.01 55.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.918 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 82.4 p -130.46 114.13 15.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.147 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -82.89 -45.67 13.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -72.32 -59.88 2.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 66' ' ' GLY . 13.8 t -40.47 -43.91 1.92 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 65' ' ' SER . . . -35.6 -91.52 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.487 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 147.34 62.9 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.639 2.226 . . . . 0.0 112.367 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.2 t -98.53 128.45 44.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.0 m -64.16 109.55 1.89 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.451 -180.0 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.526 -0.229 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.4 p -166.16 159.27 15.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.873 0.368 . . . . 0.0 110.826 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.5 p -107.15 87.55 2.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.836 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.65 164.93 31.4 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.518 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.3 m -61.21 -47.15 87.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.859 0.361 . . . . 0.0 110.87 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 t -45.17 148.51 0.59 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.55 126.46 4.34 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.435 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.3 ptpt -86.02 152.19 23.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.784 0.326 . . . . 0.0 110.923 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 149.25 161.34 9.67 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.472 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -115.69 159.76 13.65 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.486 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.489 ' O ' ' CD1' ' A' ' 12' ' ' TRP . 35.4 m -78.01 168.87 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.797 0.332 . . . . 0.0 111.144 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.575 ' CE3' ' HB3' ' A' ' 16' ' ' GLU . 30.3 m95 -154.65 126.77 7.75 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.7 mmm180 -100.56 157.58 16.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.828 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 -40.26 -54.24 2.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.2 p -54.55 -59.25 4.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.094 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.575 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 7.4 mm-40 -43.76 -44.62 6.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.939 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.72 -49.13 61.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -53.53 -46.68 70.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 46.1 mt -60.11 -49.41 84.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.132 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.654 HD23 HD12 ' A' ' 55' ' ' LEU . 22.8 tp -58.14 -65.75 0.59 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.456 ' C ' ' O ' ' A' ' 20' ' ' LEU . 9.7 mtmm -33.99 -52.22 0.44 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 25' ' ' MET . . . -68.27 -60.95 2.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.091 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -39.54 -52.1 2.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.094 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.486 ' O ' ' CA ' ' A' ' 28' ' ' GLY . 66.4 t -49.18 -37.73 10.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.414 ' N ' ' O ' ' A' ' 22' ' ' ALA . 16.2 mmt -77.94 -34.05 51.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.7 ttpt -69.15 -61.31 1.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -82.07 -34.45 29.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.937 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.486 ' CA ' ' O ' ' A' ' 24' ' ' VAL . . . 113.76 174.94 18.95 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.484 ' HG2' ' CG1' ' A' ' 24' ' ' VAL . 41.9 mttp -86.04 21.58 1.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.792 0.329 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -116.14 -33.35 5.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -86.47 45.58 1.26 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 52.1 m95 -57.83 -38.32 75.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.5 m -62.28 -49.96 73.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.888 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 43.7 ttt180 -62.02 -43.24 99.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.602 HG21 HD12 ' A' ' 20' ' ' LEU . 76.2 mt -55.87 -42.17 69.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.144 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.34 -35.17 64.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.05 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.1 t -58.92 -39.23 80.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.9 mt -59.11 -43.18 91.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.945 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.416 HD22 ' OE1' ' A' ' 16' ' ' GLU . 7.1 mt -86.26 138.05 32.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.574 ' CD2' ' HG2' ' A' ' 41' ' ' ARG . 11.0 t-160 -84.11 133.89 34.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.574 ' HG2' ' CD2' ' A' ' 40' ' ' HIS . 15.3 mmm180 67.26 43.72 1.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.429 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 27.2 mmtt -139.66 161.27 37.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.2 t -142.54 163.16 33.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.881 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -47.51 -41.35 20.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.095 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.414 ' HD3' ' C ' ' A' ' 45' ' ' LYS . 1.2 tmtp? -56.84 -54.45 46.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.864 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 42.9 mm-40 -63.34 -46.96 84.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 61.8 m -56.57 -45.48 81.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.8 tttm -69.74 -43.41 72.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.943 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.17 -65.41 0.68 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.111 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.44 ' HG2' ' CE2' ' A' ' 12' ' ' TRP . 6.3 tpt180 -43.95 -40.94 4.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.552 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 31.3 t-105 -63.58 -70.05 0.24 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -56.95 -18.73 14.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.905 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -67.37 -56.29 10.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.493 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 6.3 m95 -127.81 -40.7 1.7 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.654 HD12 HD23 ' A' ' 20' ' ' LEU . 0.8 OUTLIER -81.87 89.38 6.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.463 ' OD1' ' N ' ' A' ' 58' ' ' SER . 1.3 t70 -170.64 141.72 1.57 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.536 0.684 . . . . 0.0 110.886 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -50.27 0.48 Allowed 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.711 2.274 . . . . 0.0 112.348 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.463 ' N ' ' OD1' ' A' ' 56' ' ' ASP . 19.2 m -40.7 -42.36 1.72 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.493 ' CD1' ' O ' ' A' ' 54' ' ' TRP . 85.7 mt -37.51 136.82 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.141 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.4 mmmt -86.12 84.87 7.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.834 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.402 ' HG3' HG22 ' A' ' 59' ' ' ILE . 87.2 mttt -104.49 147.55 27.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.587 HG23 ' O ' ' A' ' 62' ' ' THR . 10.2 t -111.44 109.78 19.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -127.93 42.02 3.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.519 ' O ' ' CG ' ' A' ' 64' ' ' TRP . 0.7 OUTLIER -94.17 41.83 1.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.907 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.5 m -101.6 151.79 21.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.841 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -64.33 172.06 18.21 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.524 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 93.9 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.676 2.251 . . . . 0.0 112.387 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.3 t -44.56 -52.28 8.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 29.3 t -140.12 139.02 35.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.844 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.5 -179.996 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 3' ' ' SER . 52.8 p -107.75 -43.62 4.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.885 0.374 . . . . 0.0 110.835 -179.756 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 2' ' ' SER . 40.0 m 34.87 42.15 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.826 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.98 -77.85 0.24 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.47 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.6 t -160.99 129.81 4.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.874 0.369 . . . . 0.0 110.867 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 t -70.3 -57.55 4.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.869 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.94 42.84 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.53 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -163.37 174.46 11.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.842 0.353 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -66.98 -114.04 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.512 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.47 -75.64 1.0 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.483 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 87.3 t -75.55 142.86 13.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.794 0.331 . . . . 0.0 111.182 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.579 ' CE3' ' HB3' ' A' ' 16' ' ' GLU . 12.8 m95 -145.63 133.93 21.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 14' ' ' ASN . 57.3 mtt180 -100.29 147.49 25.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 13' ' ' ARG . 20.7 t-20 -36.02 -55.24 0.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.5 p -50.79 -58.76 5.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.119 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.579 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 7.5 mm-40 -46.46 -49.94 17.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.14 -44.3 97.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -56.82 -56.01 27.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 21.5 mt -53.9 -44.33 60.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.1 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.771 ' O ' HG23 ' A' ' 24' ' ' VAL . 21.2 tp -62.99 -58.1 8.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.614 ' HG3' HD13 ' A' ' 55' ' ' LEU . 6.6 mtpm? -42.03 -58.7 1.99 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.69 -64.78 0.7 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.102 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.67 -54.36 5.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.078 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.771 HG23 ' O ' ' A' ' 20' ' ' LEU . 40.5 t -50.02 -29.13 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 6.4 mmt -82.69 -25.4 33.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.611 ' HD2' ' CE1' ' A' ' 27' ' ' TYR . 21.2 ttmt -91.96 -62.05 1.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.862 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.803 ' HE2' HD11 ' A' ' 38' ' ' LEU . 5.8 m-85 -72.85 -35.07 67.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.976 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 100.22 179.47 30.01 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.473 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.06 42.76 1.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.823 0.344 . . . . 0.0 110.866 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -132.79 -33.17 1.21 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.835 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -91.09 38.25 0.96 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 54.9 m95 -52.65 -36.67 57.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.41 ' HA ' ' HB2' ' A' ' 44' ' ' ALA . 3.7 m -60.0 -43.72 95.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.3 ttt-85 -71.64 -51.66 21.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.853 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.662 HG21 HD12 ' A' ' 20' ' ' LEU . 46.0 mt -43.84 -50.43 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.141 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -45.12 -38.39 5.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.092 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.9 t -53.9 -39.4 65.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.818 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.803 HD11 ' HE2' ' A' ' 27' ' ' TYR . 38.6 mt -60.19 -44.08 95.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.516 HD13 ' CH2' ' A' ' 12' ' ' TRP . 10.3 mt -87.24 150.84 23.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.444 ' CE1' ' HG2' ' A' ' 41' ' ' ARG . 13.6 t-80 -100.77 137.65 38.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.83 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.444 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 1.6 mmp_? 67.64 34.94 4.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.847 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -136.18 151.15 49.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 44' ' ' ALA . 73.2 m -126.84 153.61 45.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.41 ' HB2' ' HA ' ' A' ' 33' ' ' SER . . . -37.44 -47.93 0.91 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.175 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -49.55 -57.06 7.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 41.1 mm-40 -55.68 -58.94 5.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 92.8 m -46.41 -39.81 11.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.4 tttm -70.36 -39.81 74.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.99 -65.29 0.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.098 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.507 ' HG2' ' CD2' ' A' ' 12' ' ' TRP . 6.4 tpt180 -43.29 -34.16 1.14 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.542 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 13.0 t-105 -74.01 -70.62 0.38 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.41 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 15.1 m-85 -57.16 -13.74 3.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.95 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.418 ' O ' ' CE3' ' A' ' 54' ' ' TRP . 14.8 mt-10 -75.65 -51.53 12.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.418 ' CE3' ' O ' ' A' ' 53' ' ' GLU . 4.9 m95 -127.85 -41.88 1.62 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.614 HD13 ' HG3' ' A' ' 21' ' ' LYS . 0.9 OUTLIER -85.23 90.76 7.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.883 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.417 ' CG ' ' HD2' ' A' ' 57' ' ' PRO . 18.9 t70 -171.55 139.91 1.18 Allowed Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.612 0.72 . . . . 0.0 110.847 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.417 ' HD2' ' CG ' ' A' ' 56' ' ' ASP . 53.8 Cg_endo -69.78 -49.14 0.59 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.698 2.265 . . . . 0.0 112.323 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.9 m -39.78 -35.14 0.31 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.812 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 80.1 mt -46.82 136.36 2.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.48 102.45 3.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.938 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.5 mmpt? -116.73 157.6 25.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.488 HG21 ' CA ' ' A' ' 70' ' ' GLY . 24.3 p -121.21 119.51 32.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.146 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -69.65 153.36 43.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 2.2 t90 -59.21 -49.14 79.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.3 t -77.09 147.92 36.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 124.36 145.98 6.8 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.513 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -7.79 21.94 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.697 2.264 . . . . 0.0 112.415 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 38.3 m -105.59 123.09 47.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.821 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.0 t -77.46 -50.93 11.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.488 ' CA ' HG21 ' A' ' 62' ' ' THR . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.481 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.55 -0.22 . . . . 0.0 112.55 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 1' ' ' GLY . 4.7 m 36.32 43.85 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.837 0.351 . . . . 0.0 110.849 -179.701 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.3 p -71.97 -25.22 61.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.853 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.21 134.89 14.41 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.497 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 t -91.41 168.61 11.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.907 0.384 . . . . 0.0 110.874 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.5 p -80.96 130.69 35.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.59 173.82 20.43 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.491 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.6 mtmt -150.28 132.21 15.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.841 0.353 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -166.16 -64.65 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.497 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 129.93 121.86 2.37 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.464 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 36.9 t -79.03 144.18 11.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.797 0.332 . . . . 0.0 111.153 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.639 ' CH2' HD13 ' A' ' 39' ' ' LEU . 52.8 m95 -140.3 147.59 40.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 53.8 mtt85 -127.31 164.87 20.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.835 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -44.65 -46.19 10.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 34.3 p -60.4 -56.43 21.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.184 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.469 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 41.8 mt-10 -48.66 -46.8 40.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.644 ' OD1' HD11 ' A' ' 55' ' ' LEU . 8.7 m-20 -60.1 -48.89 79.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -54.3 -54.44 40.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 26.5 mt -56.7 -58.49 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.13 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.759 ' O ' HG23 ' A' ' 24' ' ' VAL . 22.8 tp -50.51 -55.31 16.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.959 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.575 ' HG3' HD13 ' A' ' 55' ' ' LEU . 26.9 mtpt -45.61 -53.23 9.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' A' ' 25' ' ' MET . . . -63.5 -60.92 2.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.105 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -38.98 -51.58 1.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.759 HG23 ' O ' ' A' ' 20' ' ' LEU . 58.3 t -48.06 -39.54 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.404 ' N ' ' O ' ' A' ' 22' ' ' ALA . 10.1 mmt -76.74 -34.24 58.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.521 ' HD3' ' CE1' ' A' ' 27' ' ' TYR . 45.8 tttm -73.09 -64.26 1.01 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.521 ' CE1' ' HD3' ' A' ' 26' ' ' LYS . 86.5 m-85 -77.33 -31.99 54.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.495 ' CA ' ' O ' ' A' ' 24' ' ' VAL . . . 113.02 173.73 18.9 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.456 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.462 ' O ' ' NE1' ' A' ' 32' ' ' TRP . 43.1 mttt -86.62 18.62 3.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.8 0.333 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 -116.17 -29.79 6.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -83.71 39.06 0.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.476 ' CZ3' HG22 ' A' ' 24' ' ' VAL . 54.9 m95 -55.38 -40.87 71.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.615 ' HA ' ' HB2' ' A' ' 44' ' ' ALA . 4.4 t -63.21 -48.36 78.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 35.1 ttt85 -64.4 -43.91 92.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.427 HG21 HD12 ' A' ' 20' ' ' LEU . 97.8 mt -55.62 -47.31 79.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -45.37 -43.86 11.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 54.5 m -47.57 -41.63 21.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.4 mt -56.03 -45.87 79.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.921 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.639 HD13 ' CH2' ' A' ' 12' ' ' TRP . 8.0 mt -86.45 131.46 34.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -76.65 134.16 39.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.856 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 27.1 mtm180 67.06 40.16 2.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.539 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 33.5 mmtm -138.16 138.26 38.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 44' ' ' ALA . 7.9 t -117.69 155.75 29.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.615 ' HB2' ' HA ' ' A' ' 33' ' ' SER . . . -35.88 -59.99 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.068 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.5 tppt? -38.02 -61.79 0.62 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.416 ' N ' ' CD ' ' A' ' 46' ' ' GLN . 0.9 OUTLIER -47.71 -61.95 1.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 70.9 m -41.19 -43.51 2.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -72.58 -40.64 66.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.86 -65.29 0.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.517 ' HG2' ' CD2' ' A' ' 12' ' ' TRP . 6.5 tpt180 -43.55 -39.51 3.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.481 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 24.2 t-105 -66.11 -73.03 0.14 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.957 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -53.69 -19.2 3.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -67.76 -55.52 12.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 5.1 m95 -127.97 -40.22 1.71 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.943 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.644 HD11 ' OD1' ' A' ' 17' ' ' ASP . 1.1 mt -83.15 93.09 7.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.43 ' CG ' ' HD2' ' A' ' 57' ' ' PRO . 10.6 t70 -173.75 139.94 0.8 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.667 0.746 . . . . 0.0 110.832 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.43 ' HD2' ' CG ' ' A' ' 56' ' ' ASP . 54.1 Cg_endo -69.73 -49.72 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.68 2.253 . . . . 0.0 112.393 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 72.6 m -39.4 -37.53 0.46 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.819 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.409 HD12 ' O ' ' A' ' 56' ' ' ASP . 70.6 mt -44.69 139.71 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.121 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.0 mtpt -62.83 107.93 1.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 31.1 mttm -131.18 176.03 8.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.422 HG23 ' N ' ' A' ' 63' ' ' GLU . 8.9 t -123.46 -41.76 2.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.422 ' N ' HG23 ' A' ' 62' ' ' THR . 20.2 mt-10 -43.3 -55.25 4.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.1 m0 47.69 41.54 13.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.9 m -65.08 -45.37 85.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.881 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.7 153.22 29.85 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.475 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 101.55 0.92 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.666 2.244 . . . . 0.0 112.346 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.6 t -130.5 117.57 19.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.3 t -131.09 102.73 6.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.486 -179.984 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.4 t -138.57 121.13 16.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.9 0.381 . . . . 0.0 110.887 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.5 m -92.61 171.36 9.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.4 -146.18 5.38 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.51 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.9 p -91.47 119.19 31.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.916 0.388 . . . . 0.0 110.845 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.7 m -112.03 122.07 46.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.31 165.57 13.65 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.466 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -124.5 144.69 49.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.871 0.367 . . . . 0.0 110.854 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 10' ' ' GLY . . . 65.38 85.2 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.489 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 9' ' ' GLY . . . -34.28 -86.05 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.473 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.438 ' O ' ' CD1' ' A' ' 12' ' ' TRP . 12.2 p -174.88 145.97 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.812 0.339 . . . . 0.0 111.127 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.566 ' CZ2' ' HD2' ' A' ' 42' ' ' LYS . 62.4 m95 -152.63 140.51 20.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 38.5 mtp85 -121.66 161.38 22.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.867 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -40.83 -39.64 1.17 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 26.1 p -66.51 -57.43 7.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.424 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 32.0 mt-10 -48.92 -43.21 39.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.72 -47.07 82.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -57.84 -49.38 76.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.902 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.9 mt -60.22 -56.14 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.101 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.502 HD12 HG21 ' A' ' 35' ' ' ILE . 18.1 tp -55.12 -58.3 8.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.826 ' HE2' HD22 ' A' ' 55' ' ' LEU . 49.0 mttt -42.47 -59.21 1.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.82 -61.13 2.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.095 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.07 -51.08 14.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.094 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.645 HG13 ' HG3' ' A' ' 29' ' ' LYS . 55.1 t -51.96 -26.24 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.6 mmt -84.68 -28.62 26.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.413 ' HD3' ' CE1' ' A' ' 27' ' ' TYR . 19.2 tttp -88.24 -60.85 1.85 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.413 ' CE1' ' HD3' ' A' ' 26' ' ' LYS . 32.1 m-85 -74.97 -30.8 61.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.66 177.87 32.41 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.472 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.645 ' HG3' HG13 ' A' ' 24' ' ' VAL . 0.8 OUTLIER -91.23 35.99 0.93 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.783 0.325 . . . . 0.0 110.891 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 -124.82 -32.04 3.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -91.41 38.62 0.98 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.608 ' CZ3' HG22 ' A' ' 24' ' ' VAL . 45.3 m95 -52.04 -36.01 48.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.946 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.523 ' HA ' ' HB2' ' A' ' 44' ' ' ALA . 44.8 m -62.96 -43.95 97.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 -179.82 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 53.3 ttt180 -71.54 -52.11 19.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.502 HG21 HD12 ' A' ' 20' ' ' LEU . 71.7 mt -44.46 -49.13 2.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.119 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -45.89 -42.04 12.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.14 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.0 t -47.46 -40.41 18.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.7 mt -54.36 -47.15 72.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.425 HD11 ' HB2' ' A' ' 20' ' ' LEU . 5.1 mt -93.26 162.12 14.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.951 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.46 ' O ' ' N ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -104.74 172.75 6.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 179.887 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 24.5 mtt180 40.08 25.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.566 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 31.0 mmtt -122.98 158.78 29.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 44' ' ' ALA . 60.6 p -139.25 149.16 43.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.905 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.523 ' HB2' ' HA ' ' A' ' 33' ' ' SER . . . -35.57 -44.54 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.44 -59.3 3.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 20.7 mm-40 -55.4 -57.89 10.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 87.4 m -45.49 -37.72 5.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 51.9 tttt -76.08 -41.65 49.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.67 -65.22 0.89 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.086 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.516 ' HG2' ' CE2' ' A' ' 12' ' ' TRP . 7.2 tpt180 -42.26 -39.29 2.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.548 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 14.1 t-105 -68.62 -71.86 0.2 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.43 ' CD1' ' CD1' ' A' ' 51' ' ' TRP . 15.4 m-85 -56.42 -13.61 2.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.93 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -74.1 -54.64 7.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 4.6 m95 -127.08 -31.17 2.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.826 HD22 ' HE2' ' A' ' 21' ' ' LYS . 1.1 mt -93.39 91.37 7.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -171.44 143.14 1.48 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.571 0.7 . . . . 0.0 110.868 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -50.81 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.646 2.231 . . . . 0.0 112.352 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.1 m -43.26 -31.68 0.66 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 66.6 mt -44.98 137.75 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.115 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -95.64 82.8 3.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -128.33 -58.48 1.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 37.5 p -74.69 85.69 2.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -80.62 100.42 8.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -91.29 169.79 10.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.934 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 96.9 p -121.18 167.1 13.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 169.3 83.35 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.45 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 68' ' ' SER . 54.4 Cg_endo -69.73 166.33 27.93 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.707 2.271 . . . . 0.0 112.33 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 67' ' ' PRO . 1.1 t -37.28 137.02 0.41 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.823 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.4 m -76.2 99.46 4.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.895 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.561 -179.998 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.8 p -131.71 173.64 10.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.897 0.38 . . . . 0.0 110.843 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.2 t -92.38 114.81 27.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.67 -52.46 0.83 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.465 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 t -71.51 82.4 0.81 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.863 0.363 . . . . 0.0 110.838 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -105.91 160.92 14.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.9 164.42 13.24 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.497 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -82.67 -44.42 15.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.803 0.335 . . . . 0.0 110.849 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -162.41 93.87 0.12 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.476 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -160.91 77.53 0.17 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.45 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.594 ' O ' ' CD1' ' A' ' 12' ' ' TRP . 7.4 p -174.96 141.01 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.841 0.353 . . . . 0.0 111.147 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.617 ' CH2' HD13 ' A' ' 39' ' ' LEU . 45.2 m95 -156.63 155.63 32.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 14' ' ' ASN . 19.7 mtp180 -124.64 149.83 46.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.823 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.446 ' C ' ' O ' ' A' ' 13' ' ' ARG . 1.1 p30 -34.71 -56.65 0.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 22.4 p -54.56 -65.18 0.62 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.144 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.44 ' HA ' HD12 ' A' ' 19' ' ' ILE . 39.8 mt-10 -39.35 -41.5 0.93 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.24 -45.3 85.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.835 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -57.82 -40.86 80.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.44 HD12 ' HA ' ' A' ' 16' ' ' GLU . 17.9 mt -65.39 -50.19 74.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.15 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.773 HD23 HD12 ' A' ' 55' ' ' LEU . 36.5 tp -54.66 -65.32 0.6 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.492 ' HZ2' HD22 ' A' ' 55' ' ' LEU . 9.6 mtmm -39.81 -58.61 1.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.1 -61.65 2.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.136 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.91 -54.92 4.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.069 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 20' ' ' LEU . 67.8 t -50.89 -33.11 12.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.143 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 8.6 mmt -78.11 -26.55 48.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -88.93 -65.05 1.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.668 ' HE2' HD11 ' A' ' 38' ' ' LEU . 5.5 m-85 -69.45 -35.03 75.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 103.67 -175.14 23.21 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.475 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.6 mttm -91.7 37.58 0.97 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.837 0.351 . . . . 0.0 110.892 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -128.78 -37.87 1.72 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -85.25 42.38 0.94 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 52.5 m95 -57.65 -37.53 73.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.936 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.458 ' HA ' ' HB2' ' A' ' 44' ' ' ALA . 54.5 p -63.01 -50.78 69.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -60.66 -47.54 85.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.579 HG21 HD12 ' A' ' 20' ' ' LEU . 77.4 mt -47.84 -50.23 9.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.107 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.751 ' HB1' ' O ' ' A' ' 42' ' ' LYS . . . -49.16 -35.25 16.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.5 t -56.15 -37.81 70.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.668 HD11 ' HE2' ' A' ' 27' ' ' TYR . 21.3 mt -60.2 -46.83 88.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.947 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.617 HD13 ' CH2' ' A' ' 12' ' ' TRP . 3.8 mt -83.68 157.95 22.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -100.75 132.99 45.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.834 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 39.2 mtt180 66.52 34.24 6.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.751 ' O ' ' HB1' ' A' ' 36' ' ' ALA . 39.4 mmtt -139.08 123.16 17.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.3 t -104.32 174.11 6.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.458 ' HB2' ' HA ' ' A' ' 33' ' ' SER . . . -48.08 -52.13 21.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.086 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.5 mmmt -47.06 -59.09 3.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.526 ' NE2' ' HA ' ' A' ' 42' ' ' LYS . 31.3 mt-30 -55.91 -49.83 72.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 65.2 m -53.56 -42.41 67.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.89 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.0 tttm -72.64 -39.4 67.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.51 -63.81 1.01 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.107 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.516 ' HG2' ' CE2' ' A' ' 12' ' ' TRP . 5.3 tpt180 -51.16 -38.3 51.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.551 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 20.2 t-105 -67.34 -69.17 0.33 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -57.32 -21.64 36.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.925 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -64.65 -54.57 29.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.494 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 4.3 m95 -127.84 -41.49 1.65 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.773 HD12 HD23 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -80.38 88.85 5.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.958 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -174.96 139.22 0.62 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.657 0.741 . . . . 0.0 110.835 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 -48.65 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.667 2.244 . . . . 0.0 112.339 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 59' ' ' ILE . 1.9 t -44.3 -40.49 5.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.494 ' CD1' ' O ' ' A' ' 54' ' ' TRP . 99.6 mt -35.3 135.56 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.127 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 54.7 mttt -92.3 114.35 26.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 31.3 mtmt -112.38 173.0 6.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.3 p -114.91 40.37 2.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -131.81 142.67 49.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 12.6 m95 -50.98 106.91 0.14 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.1 t -165.66 113.69 0.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -156.75 -95.02 0.1 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.478 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 170.89 15.51 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.694 2.262 . . . . 0.0 112.351 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 69' ' ' SER . 59.1 p 44.31 43.76 6.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.862 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 68' ' ' SER . 7.0 m -36.45 139.49 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.858 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.456 179.96 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 t -64.27 -45.44 88.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.861 0.362 . . . . 0.0 110.822 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -150.13 128.67 12.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.862 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.39 80.63 0.33 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.475 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.0 p -124.21 104.96 9.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.907 0.385 . . . . 0.0 110.879 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -165.14 157.81 16.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.916 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.65 -159.53 24.13 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.464 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.5 tttp 42.11 41.39 2.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.797 0.332 . . . . 0.0 110.846 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.44 -173.74 15.01 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.473 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -120.57 134.49 10.34 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.486 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.62 HG12 ' N ' ' A' ' 12' ' ' TRP . 60.0 t -63.95 165.05 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.824 0.345 . . . . 0.0 111.115 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.62 ' N ' HG12 ' A' ' 11' ' ' VAL . 17.1 m95 -141.96 149.67 40.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 36.1 mtm-85 -118.49 160.03 22.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.878 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 26.7 p-10 -46.69 -51.55 15.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.6 p -57.13 -58.15 9.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.491 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 6.9 mm-40 -45.31 -39.47 6.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -67.28 -46.5 73.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -54.69 -46.72 74.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.546 ' HB ' HD21 ' A' ' 39' ' ' LEU . 20.2 mt -62.32 -46.14 97.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.615 HD23 HD12 ' A' ' 55' ' ' LEU . 37.1 tp -60.43 -58.01 10.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.547 ' HG3' HD13 ' A' ' 55' ' ' LEU . 24.8 mtmt -45.0 -52.99 8.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.22 -60.67 3.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.075 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -44.41 -46.87 9.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.104 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 20' ' ' LEU . 80.8 t -55.37 -32.38 29.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.151 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 11.9 mmt -78.98 -33.87 44.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.3 tttt -81.03 -63.92 1.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.418 ' CE1' HD11 ' A' ' 38' ' ' LEU . 74.4 m-85 -71.26 -33.18 69.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 105.83 174.6 23.78 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.521 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.1 mttt -88.83 30.68 0.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.766 0.317 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 -126.39 -28.86 3.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -89.66 40.32 0.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.413 ' CZ3' HG22 ' A' ' 24' ' ' VAL . 51.2 m95 -52.76 -37.2 59.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.446 ' HA ' ' HB2' ' A' ' 44' ' ' ALA . 2.6 m -63.22 -50.33 70.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.847 -179.815 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.7 ttt85 -63.07 -46.22 88.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.545 HG21 HD12 ' A' ' 20' ' ' LEU . 89.4 mt -51.02 -44.59 28.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.16 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.62 -41.13 41.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.079 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 30.9 t -52.11 -39.97 60.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.418 HD11 ' CE1' ' A' ' 27' ' ' TYR . 32.6 mt -58.86 -44.79 91.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.546 HD21 ' HB ' ' A' ' 19' ' ' ILE . 8.5 mt -87.04 133.99 33.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 13.8 t-160 -82.12 133.5 35.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.9 mmm180 68.66 41.06 1.71 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.572 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 21.4 mmtt -141.24 148.27 39.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.964 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 45.0 t -127.03 160.71 30.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.794 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.446 ' HB2' ' HA ' ' A' ' 33' ' ' SER . . . -42.96 -43.58 4.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.132 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.419 ' HD3' ' C ' ' A' ' 45' ' ' LYS . 11.2 tmtt? -51.56 -58.62 5.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.926 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 17.2 mp0 -58.14 -46.26 85.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 84.0 m -55.85 -44.65 78.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.2 tttt -69.47 -49.45 54.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.62 -65.24 0.71 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.044 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.509 ' HG2' ' CD2' ' A' ' 12' ' ' TRP . 10.4 tpt180 -40.23 -43.61 1.72 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.543 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 28.3 t-105 -63.73 -70.9 0.19 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -56.21 -15.1 3.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -72.33 -55.56 6.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.463 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 5.4 m95 -127.8 -38.98 1.83 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.615 HD12 HD23 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -85.08 90.6 7.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.494 ' OD1' ' N ' ' A' ' 58' ' ' SER . 0.5 OUTLIER -166.79 142.41 3.63 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.634 0.731 . . . . 0.0 110.828 179.858 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -50.81 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.645 2.23 . . . . 0.0 112.344 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.494 ' N ' ' OD1' ' A' ' 56' ' ' ASP . 2.8 m -41.44 -41.57 2.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.543 HG22 ' H ' ' A' ' 61' ' ' LYS . 48.2 mt -36.31 145.31 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.427 ' C ' ' HD2' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -98.41 33.38 2.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.874 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.543 ' H ' HG22 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -103.15 146.1 28.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.898 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 13.8 t -53.14 134.52 38.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.135 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -88.46 153.35 21.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.453 ' CD1' ' N ' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -49.55 103.11 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.9 t -84.69 126.49 33.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.826 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -134.57 -94.73 0.5 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.46 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 68' ' ' SER . 53.9 Cg_endo -69.73 0.88 4.99 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.625 2.217 . . . . 0.0 112.366 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 67' ' ' PRO . 22.4 m -34.52 121.47 0.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 70' ' ' GLY . 50.0 m -37.29 108.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.844 -179.816 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 69' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.362 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.479 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.2 t -106.51 -47.94 3.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.834 0.35 . . . . 0.0 110.858 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.8 p -97.68 -33.04 11.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 41.58 -164.47 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.499 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.9 m -96.28 106.85 19.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.923 0.392 . . . . 0.0 110.798 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.5 p -121.91 43.91 2.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.86 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 41.36 67.56 0.77 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.514 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.58 122.85 9.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.832 0.349 . . . . 0.0 110.862 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -111.72 96.16 0.85 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.495 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.61 -138.86 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.472 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 39.5 t -123.23 149.42 27.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.821 0.343 . . . . 0.0 111.093 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.572 ' CZ2' ' HD2' ' A' ' 42' ' ' LYS . 32.9 m95 -146.15 139.78 26.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.7 mtt85 -113.31 163.22 15.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -50.07 -46.77 53.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.0 p -60.38 -50.29 74.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.154 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.523 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 7.1 mm-40 -52.51 -40.91 62.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.66 -41.6 83.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -59.88 -45.77 91.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 31.7 mt -64.24 -49.04 82.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.09 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.511 HD12 HG21 ' A' ' 35' ' ' ILE . 31.3 tp -59.36 -59.49 5.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.59 ' HG3' HD13 ' A' ' 55' ' ' LEU . 18.6 mtpp -41.69 -55.57 2.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.81 -59.35 5.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.12 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -44.82 -53.66 7.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.07 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.45 HG22 ' CZ3' ' A' ' 32' ' ' TRP . 73.8 t -49.74 -29.56 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.096 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 7.6 mmt -81.49 -35.76 30.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.507 ' HD3' ' CE1' ' A' ' 27' ' ' TYR . 24.5 tttt -78.75 -61.3 2.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.507 ' CE1' ' HD3' ' A' ' 26' ' ' LYS . 56.6 m-85 -73.56 -29.81 62.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.912 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 101.28 175.66 28.83 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.524 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.1 mtpt -89.59 36.05 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.794 0.33 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -127.62 -33.77 2.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -86.58 39.49 0.84 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.45 ' CZ3' HG22 ' A' ' 24' ' ' VAL . 56.4 m95 -52.67 -37.18 58.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.457 ' HA ' ' HB2' ' A' ' 44' ' ' ALA . 85.1 p -63.24 -48.38 78.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.835 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.9 ttt-85 -66.67 -48.26 69.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.511 HG21 HD12 ' A' ' 20' ' ' LEU . 83.0 mt -48.25 -44.12 12.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.19 -43.83 67.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.4 t -48.85 -41.36 32.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 20.6 mt -54.54 -50.39 68.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.435 HD13 ' CH2' ' A' ' 12' ' ' TRP . 3.3 mt -82.03 137.04 35.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 2.9 t60 -81.22 134.95 35.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 27.3 mtm-85 65.8 42.7 3.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.572 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 20.9 mmtp -141.32 146.64 36.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 58.2 m -126.08 165.75 18.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.83 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.457 ' HB2' ' HA ' ' A' ' 33' ' ' SER . . . -49.51 -43.99 45.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.09 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -50.76 -58.01 6.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.868 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -60.07 -47.38 86.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.913 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 68.9 m -54.16 -39.75 66.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.0 tttm -75.15 -47.92 26.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.5 -63.88 0.99 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.137 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.442 ' NH2' ' HB3' ' A' ' 12' ' ' TRP . 5.5 tpt180 -42.15 -42.38 2.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.865 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.511 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 8.3 t-105 -66.86 -70.74 0.23 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.476 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 46.8 m-85 -54.62 -16.19 2.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.947 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -72.82 -54.76 7.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.847 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.414 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 5.3 m95 -125.7 -37.1 2.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.59 HD13 ' HG3' ' A' ' 21' ' ' LYS . 1.0 OUTLIER -86.93 86.26 7.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -164.13 136.29 3.77 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.6 0.714 . . . . 0.0 110.853 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -45.43 1.6 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.738 2.292 . . . . 0.0 112.311 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 51.9 m -49.9 -26.7 4.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.794 HG22 ' H ' ' A' ' 61' ' ' LYS . 88.9 mt -43.98 137.77 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.123 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -87.39 29.7 0.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.856 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.794 ' H ' HG22 ' A' ' 59' ' ' ILE . 7.8 mmpt? 34.63 44.94 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.425 ' C ' ' O ' ' A' ' 61' ' ' LYS . 4.6 t -36.12 -30.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.153 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 61' ' ' LYS . 20.4 tt0 -110.89 117.83 34.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.426 ' O ' ' C ' ' A' ' 65' ' ' SER . 12.5 m95 -88.39 -44.34 10.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 64' ' ' TRP . 7.5 t -36.26 -51.59 0.78 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -106.59 83.81 0.36 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.51 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' A' ' 65' ' ' SER . 53.1 Cg_endo -69.8 -18.11 37.01 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.654 2.236 . . . . 0.0 112.35 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 52.5 p 46.11 45.05 12.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 49.4 p -141.88 170.45 15.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.874 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.485 179.973 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.1 m -129.93 101.39 5.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.9 0.381 . . . . 0.0 110.859 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 m 61.09 42.6 12.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.85 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -71.06 94.38 0.53 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.484 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 6' ' ' SER . 57.1 p -34.79 -55.12 0.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.881 0.372 . . . . 0.0 110.836 -179.764 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 5' ' ' SER . 34.4 p -34.87 140.01 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.824 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.32 63.53 0.35 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.449 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.3 mttp -50.52 98.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.814 0.34 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 122.02 174.09 14.54 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.45 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.8 -87.65 1.17 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.504 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.9 p -70.27 147.24 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.815 0.341 . . . . 0.0 111.128 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.681 ' CH2' HD22 ' A' ' 20' ' ' LEU . 9.2 m95 -145.79 135.45 23.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.928 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.3 mtm180 -94.33 149.28 21.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.863 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -44.6 -47.13 10.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 25.7 p -56.42 -56.51 20.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -53.15 -42.29 65.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.846 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -64.46 -44.55 90.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -59.27 -46.43 88.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 35.1 mt -65.25 -44.33 95.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.097 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.681 HD22 ' CH2' ' A' ' 12' ' ' TRP . 43.1 tp -59.87 -62.39 1.91 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.521 ' HG3' HD13 ' A' ' 55' ' ' LEU . 22.5 mtmt -41.43 -52.58 3.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.98 -63.97 1.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.127 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.489 ' HB1' HG12 ' A' ' 35' ' ' ILE . . . -43.86 -47.91 8.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.555 HG22 ' CZ3' ' A' ' 32' ' ' TRP . 53.3 t -55.06 -31.76 26.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 21.8 mmt -80.23 -33.35 38.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.6 tttp -77.96 -62.51 1.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -75.84 -34.29 60.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.42 173.07 20.18 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.491 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.446 ' HG3' ' CG1' ' A' ' 24' ' ' VAL . 3.4 mtmp? -85.31 28.68 0.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.816 0.341 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -126.49 -28.05 3.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.4 mm-40 -87.13 37.32 0.76 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.598 ' CD1' ' HE3' ' A' ' 48' ' ' LYS . 57.1 m95 -50.06 -63.59 1.07 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.4 t -40.9 -41.51 1.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.86 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.5 ttm-85 -68.64 -42.01 78.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.579 HG21 HD12 ' A' ' 20' ' ' LEU . 71.9 mt -64.97 -52.27 55.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -40.38 -43.44 1.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.104 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 30.0 t -51.14 -40.83 59.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.428 HD12 HG23 ' A' ' 35' ' ' ILE . 16.3 mt -55.23 -47.41 75.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.7 mt -87.37 152.14 22.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.486 ' CE1' ' HG3' ' A' ' 41' ' ' ARG . 10.0 t-160 -92.93 140.95 28.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.486 ' HG3' ' CE1' ' A' ' 40' ' ' HIS . 24.5 mtm180 62.24 41.37 10.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.409 ' HE3' ' NE1' ' A' ' 12' ' ' TRP . 44.8 mmtm -140.91 141.09 34.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 44' ' ' ALA . 40.8 t -124.53 155.65 38.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.83 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 43' ' ' SER . . . -36.01 -51.72 0.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.141 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.407 ' C ' ' HD2' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -46.11 -56.55 5.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -53.82 -56.94 13.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 67.0 m -46.43 -46.2 18.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.598 ' HE3' ' CD1' ' A' ' 32' ' ' TRP . 7.8 ttmt -64.82 -53.61 44.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.07 -65.28 0.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.086 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.431 ' HG2' ' CE2' ' A' ' 12' ' ' TRP . 10.1 tpt180 -44.1 -38.2 3.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.858 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.542 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 40.6 t-105 -65.99 -67.79 0.42 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -59.19 -16.45 20.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.966 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -70.21 -56.71 6.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.844 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.402 ' CD1' ' NH1' ' A' ' 50' ' ' ARG . 5.7 m95 -128.04 -40.71 1.66 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.542 ' O ' ' CD2' ' A' ' 51' ' ' TRP . 0.8 OUTLIER -84.41 85.24 7.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.953 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' A' ' 58' ' ' SER . 1.2 t0 -165.78 133.17 2.25 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.622 0.725 . . . . 0.0 110.837 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.454 ' N ' ' OD1' ' A' ' 56' ' ' ASP . 53.5 Cg_endo -69.79 -44.56 1.99 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.646 2.231 . . . . 0.0 112.318 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.491 ' N ' ' OD1' ' A' ' 56' ' ' ASP . 13.0 m -49.2 -34.45 14.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.869 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.456 HD12 ' O ' ' A' ' 56' ' ' ASP . 91.4 mt -35.37 144.31 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.13 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 43.5 mmtt -80.57 42.79 0.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.8 mmmm -124.77 168.13 13.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.9 t -91.54 132.29 36.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -137.12 153.46 50.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -120.54 40.97 3.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 29.6 p -89.09 -39.99 13.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 155.82 147.57 4.77 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.48 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -0.13 6.49 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.709 2.273 . . . . 0.0 112.331 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.2 t -92.57 84.45 5.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 43.9 t -99.19 79.86 2.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.465 -179.976 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.461 -0.255 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -114.85 -53.97 2.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.916 0.388 . . . . 0.0 110.861 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.6 m -38.71 -50.98 1.68 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.96 -77.9 0.21 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.5 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -107.2 97.81 7.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.914 0.388 . . . . 0.0 110.845 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.8 p -150.34 144.29 25.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.87 70.62 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.478 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -133.23 139.13 46.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.832 0.349 . . . . 0.0 110.879 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -139.05 74.74 0.39 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.52 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -158.73 32.87 0.48 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.496 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.599 ' O ' ' CD1' ' A' ' 12' ' ' TRP . 7.4 p -152.99 151.84 11.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.8 0.333 . . . . 0.0 111.117 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.599 ' CD1' ' O ' ' A' ' 11' ' ' VAL . 57.0 m95 -157.23 140.52 15.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 14' ' ' ASN . 15.4 mmm180 -112.48 154.56 25.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 13' ' ' ARG . 10.6 p-10 -36.21 -55.93 0.77 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 36.2 p -55.83 -63.84 1.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.144 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.441 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 7.1 mm-40 -39.21 -43.64 1.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.849 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.18 -46.2 78.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -56.28 -49.99 72.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.455 ' HB ' HD21 ' A' ' 39' ' ' LEU . 22.6 mt -56.83 -57.17 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.139 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.491 ' O ' HG23 ' A' ' 24' ' ' VAL . 13.4 tp -51.05 -58.62 5.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.598 ' HE2' HD22 ' A' ' 55' ' ' LEU . 12.8 mttm -39.98 -59.83 1.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 25' ' ' MET . . . -56.12 -61.4 2.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.059 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -38.96 -56.02 1.46 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.075 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 20' ' ' LEU . 61.9 t -50.95 -34.99 14.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.099 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.417 ' N ' ' O ' ' A' ' 22' ' ' ALA . 6.4 mmt -76.83 -29.65 56.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 48.5 tttt -85.33 -65.09 1.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -69.05 -32.92 72.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.55 170.67 26.75 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.528 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -82.64 40.26 0.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.836 0.35 . . . . 0.0 110.924 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -132.07 -37.09 1.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.948 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -85.3 39.1 0.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.425 ' CZ3' HG22 ' A' ' 24' ' ' VAL . 52.7 m95 -52.14 -40.92 62.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.889 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.1 t -64.26 -44.08 92.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.5 ttt85 -67.61 -38.21 83.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.849 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.432 HG21 HD12 ' A' ' 20' ' ' LEU . 85.7 mt -60.72 -44.85 98.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.161 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.408 ' HB1' ' O ' ' A' ' 42' ' ' LYS . . . -50.52 -45.15 56.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.147 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.9 m -47.87 -41.21 23.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.0 mt -55.55 -45.78 77.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.455 HD21 ' HB ' ' A' ' 19' ' ' ILE . 5.9 mt -87.61 153.03 21.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.534 ' CE1' ' HG3' ' A' ' 41' ' ' ARG . 9.7 t-160 -96.65 139.14 33.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.534 ' HG3' ' CE1' ' A' ' 40' ' ' HIS . 31.4 mtm180 63.21 33.29 14.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.408 ' O ' ' HB1' ' A' ' 36' ' ' ALA . 29.0 mmtp -137.03 132.72 34.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.5 t -116.73 165.15 13.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -41.19 -42.91 2.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.086 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -57.24 -46.78 82.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -64.75 -54.52 30.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 90.0 m -54.95 -43.58 73.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.2 tttt -68.71 -39.31 80.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.83 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.11 -65.27 0.75 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.098 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.501 ' HG2' ' CD2' ' A' ' 12' ' ' TRP . 7.2 tpt180 -46.13 -34.75 4.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.548 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 41.2 t-105 -69.55 -73.15 0.16 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -54.11 -20.74 7.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.938 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -64.97 -61.71 2.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.864 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.493 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 4.2 m95 -122.67 -39.58 2.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.598 HD22 ' HE2' ' A' ' 21' ' ' LYS . 1.1 mt -85.06 89.75 7.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.94 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.413 ' CG ' ' HD2' ' A' ' 57' ' ' PRO . 16.0 t70 -171.09 140.42 1.3 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.581 0.705 . . . . 0.0 110.88 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.413 ' HD2' ' CG ' ' A' ' 56' ' ' ASP . 53.5 Cg_endo -69.8 -45.7 1.47 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.695 2.263 . . . . 0.0 112.364 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 59' ' ' ILE . 1.3 t -44.32 -40.88 5.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.728 HG22 ' H ' ' A' ' 61' ' ' LYS . 89.5 mt -35.52 143.57 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.152 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.09 34.32 2.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.728 ' H ' HG22 ' A' ' 59' ' ' ILE . 1.5 ttmp? -99.02 38.59 1.37 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 36.2 p -80.98 42.78 0.66 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -94.75 -47.1 6.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.864 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 26.2 t90 -74.16 121.59 21.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 24.2 t 56.26 47.97 18.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -47.71 146.13 4.81 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.544 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 168.03 22.69 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.655 2.236 . . . . 0.0 112.356 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 80.0 p -123.58 138.34 54.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.821 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 98.8 p -80.56 -29.9 37.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.845 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.489 -179.991 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.7 p -117.03 118.78 33.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.827 0.346 . . . . 0.0 110.91 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.9 p -128.71 94.79 3.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.85 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.95 64.72 0.3 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.521 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 t -69.33 159.17 33.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.897 0.38 . . . . 0.0 110.829 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.2 t -96.55 39.77 1.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.31 90.38 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.477 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.4 mttm -81.17 174.88 11.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.813 0.34 . . . . 0.0 110.889 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.42 ' HA3' ' CD ' ' A' ' 46' ' ' GLN . . . -84.81 129.76 9.41 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.477 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 160.94 -62.73 0.29 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.484 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.417 ' O ' ' CD1' ' A' ' 12' ' ' TRP . 7.4 p -68.45 143.92 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.818 0.342 . . . . 0.0 111.109 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.515 ' CD2' ' HG2' ' A' ' 50' ' ' ARG . 10.7 m95 -145.62 168.65 20.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -128.71 149.17 50.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.868 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.4 p-10 -43.67 -43.7 5.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.9 p -63.06 -41.37 99.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.2 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.504 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 40.5 mt-10 -63.11 -33.16 74.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.479 ' HB3' ' CE ' ' A' ' 21' ' ' LYS . 0.7 OUTLIER -73.4 -45.45 54.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.813 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -53.78 -44.31 69.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.44 ' HB ' HD21 ' A' ' 39' ' ' LEU . 20.9 mt -67.53 -47.25 81.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.638 HD23 HD12 ' A' ' 55' ' ' LEU . 40.1 tp -58.35 -66.75 0.44 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.554 ' HG3' HD13 ' A' ' 55' ' ' LEU . 28.1 mtmt -37.18 -61.61 0.56 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.3 -63.72 1.03 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.098 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -42.45 -57.53 2.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.462 HG22 ' CZ3' ' A' ' 32' ' ' TRP . 98.9 t -50.69 -30.94 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.139 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.5 mmt -80.61 -27.05 37.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.9 tttm -87.15 -61.84 1.63 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.915 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.616 ' HE2' HD11 ' A' ' 38' ' ' LEU . 4.3 m-85 -73.74 -31.81 63.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.33 176.14 27.51 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.499 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 40.8 mttt -84.26 39.81 0.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.8 0.333 . . . . 0.0 110.926 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 -133.15 -36.69 1.0 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLN . . . . . 0.413 ' NE2' ' HB3' ' A' ' 27' ' ' TYR . 21.5 mt-30 -84.15 40.14 0.75 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.602 ' HA ' HD12 ' A' ' 35' ' ' ILE . 53.9 m95 -53.42 -64.09 0.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.523 ' HA ' ' HB2' ' A' ' 44' ' ' ALA . 2.1 t -40.35 -45.86 2.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.3 ttm-85 -64.46 -50.4 67.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.602 HD12 ' HA ' ' A' ' 32' ' ' TRP . 44.5 mt -50.01 -44.51 21.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.085 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.91 -35.21 44.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.159 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.8 t -56.2 -39.25 72.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.812 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.616 HD11 ' HE2' ' A' ' 27' ' ' TYR . 26.5 mt -58.28 -45.18 88.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.967 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.484 HD13 ' CH2' ' A' ' 12' ' ' TRP . 9.3 mt -87.96 139.93 30.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.959 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -83.28 137.61 33.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? 63.99 41.78 6.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.508 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 35.0 mmtm -138.91 137.78 36.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 44' ' ' ALA . 23.0 t -120.0 155.8 32.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.523 ' HB2' ' HA ' ' A' ' 33' ' ' SER . . . -36.46 -53.19 0.86 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.127 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 35.2 tptt -46.02 -50.12 15.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.451 ' NE2' ' HA ' ' A' ' 46' ' ' GLN . 4.8 mm-40 -60.21 -58.19 9.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 90.1 m -46.33 -42.77 15.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.7 tttp -69.01 -45.34 70.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.61 -65.35 0.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.106 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.515 ' HG2' ' CD2' ' A' ' 12' ' ' TRP . 7.0 tpt180 -48.0 -35.28 10.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.553 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 29.9 t-105 -70.24 -70.41 0.3 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -58.41 -14.36 7.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.942 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -70.95 -58.67 3.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.932 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.484 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 4.7 m95 -123.81 -41.26 2.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.638 HD12 HD23 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -84.5 88.05 7.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.942 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.892 ' O ' HD12 ' A' ' 59' ' ' ILE . 12.2 t70 -174.96 139.79 0.63 Allowed Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.63 0.728 . . . . 0.0 110.882 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.425 ' HD2' ' CG ' ' A' ' 56' ' ' ASP . 53.8 Cg_endo -69.72 -47.47 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.661 2.241 . . . . 0.0 112.386 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 59' ' ' ILE . 56.1 m -43.26 -36.75 1.91 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.819 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.892 HD12 ' O ' ' A' ' 56' ' ' ASP . 47.8 mt -37.11 144.82 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.146 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.476 ' HE2' ' N ' ' A' ' 60' ' ' LYS . 0.3 OUTLIER -83.03 39.29 0.63 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 179.813 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.433 ' HD3' ' C ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -152.97 131.83 12.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.85 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 82.1 p -53.52 129.34 32.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.187 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -143.9 163.83 32.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 29.5 m95 -66.94 83.52 0.11 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.957 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 17.5 m -63.88 -54.03 41.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.837 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.74 68.54 1.52 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.497 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 177.87 5.15 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.663 2.242 . . . . 0.0 112.353 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.5 m -145.2 174.96 10.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.877 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 29.7 t -71.37 97.81 1.67 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.851 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.496 -179.973 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.5 m -107.5 131.8 53.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.913 0.387 . . . . 0.0 110.816 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -74.67 -61.33 1.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.835 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.96 147.02 5.35 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.465 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -71.79 -50.89 25.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.935 0.397 . . . . 0.0 110.861 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.3 t -81.99 158.64 23.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.835 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.8 -168.07 6.33 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.461 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.408 ' NZ ' ' HD2' ' A' ' 41' ' ' ARG . 20.5 mmtp -147.05 157.51 43.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.805 0.336 . . . . 0.0 110.892 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.437 ' HA3' ' CD ' ' A' ' 46' ' ' GLN . . . 162.61 155.97 8.28 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.446 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 143.57 -98.02 0.2 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.536 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.559 ' O ' ' CD1' ' A' ' 12' ' ' TRP . 33.5 m -66.99 168.91 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.793 0.33 . . . . 0.0 111.166 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.559 ' CD1' ' O ' ' A' ' 11' ' ' VAL . 19.0 m95 -155.67 140.34 17.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.939 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 21.2 mtm180 -107.61 152.15 24.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -38.35 -55.32 1.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.6 p -51.11 -67.11 0.28 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.139 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -39.19 -40.36 0.72 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -69.76 -44.88 69.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.86 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -58.51 -47.36 84.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.488 ' HB ' HD21 ' A' ' 39' ' ' LEU . 18.6 mt -61.08 -47.69 92.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.139 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.613 ' O ' HG23 ' A' ' 24' ' ' VAL . 26.2 tp -59.26 -63.91 1.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.922 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.489 ' CG ' HD13 ' A' ' 55' ' ' LEU . 44.1 mtmt -41.46 -52.24 3.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.49 -60.35 3.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.08 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -42.66 -53.77 4.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.079 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 20' ' ' LEU . 50.0 t -49.85 -31.1 6.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.142 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 8.4 mmt -80.97 -27.63 35.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.1 tttp -90.1 -63.8 1.23 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -71.32 -31.31 67.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 101.24 170.79 28.31 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.485 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.3 mttp -84.68 17.02 2.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.783 0.325 . . . . 0.0 110.867 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -116.4 -8.88 11.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -108.33 34.29 3.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.448 ' CZ3' HG22 ' A' ' 24' ' ' VAL . 56.0 m95 -50.07 -50.48 47.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.7 t -50.83 -35.86 34.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.821 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 24.6 ttt85 -79.08 -43.49 24.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.57 HG21 HD12 ' A' ' 20' ' ' LEU . 50.5 mt -56.96 -43.88 81.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.189 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.512 ' HB1' ' HA ' ' A' ' 43' ' ' SER . . . -53.31 -41.56 65.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.085 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.7 t -54.81 -38.64 67.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 17.2 mt -58.28 -42.18 86.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.488 HD21 ' HB ' ' A' ' 19' ' ' ILE . 6.8 mt -88.1 148.35 24.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -89.01 131.85 35.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.408 ' HD2' ' NZ ' ' A' ' 8' ' ' LYS . 66.9 mtm-85 66.47 42.94 2.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -141.67 154.57 45.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.512 ' HA ' ' HB1' ' A' ' 36' ' ' ALA . 42.7 m -140.7 158.81 43.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -38.67 -43.37 0.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.117 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.2 -56.57 17.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.437 ' CD ' ' HA3' ' A' ' 9' ' ' GLY . 11.8 mm100 -60.61 -49.76 76.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 92.4 m -52.59 -43.58 65.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.2 tttm -69.47 -41.03 76.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.3 -65.13 0.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -45.95 -38.72 7.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.831 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.544 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 36.9 t-105 -64.41 -68.56 0.34 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -57.91 -20.73 39.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.943 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -65.05 -57.37 8.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.485 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 7.6 m95 -127.31 -42.66 1.67 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.911 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.562 HD12 HD23 ' A' ' 20' ' ' LEU . 0.7 OUTLIER -81.67 84.99 6.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.415 ' O ' HD12 ' A' ' 59' ' ' ILE . 6.6 t70 -167.51 132.54 1.6 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.573 0.701 . . . . 0.0 110.888 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -39.01 7.0 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.698 2.265 . . . . 0.0 112.345 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.2 m -53.8 -24.84 16.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.485 ' CD1' ' O ' ' A' ' 54' ' ' TRP . 87.5 mt -46.91 138.86 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.175 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.71 91.55 0.31 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.5 mtmt -137.75 178.58 7.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.1 t -72.01 143.56 49.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -53.45 118.96 4.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' TRP . . . . . 0.402 ' CD1' ' C ' ' A' ' 64' ' ' TRP . 1.9 t-105 -81.66 104.24 11.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.1 m -145.08 141.7 29.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 174.44 -158.23 26.4 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.504 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 125.17 11.82 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.692 2.261 . . . . 0.0 112.296 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 77.9 p -76.49 119.07 19.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.834 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.3 m -110.91 -57.82 2.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.839 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.52 179.992 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.469 -0.253 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 m -107.01 80.54 1.44 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.844 0.354 . . . . 0.0 110.797 -179.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.5 m 55.83 42.71 28.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.35 139.78 2.72 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.445 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.8 p -66.45 140.17 58.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.872 0.368 . . . . 0.0 110.863 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -89.49 -57.89 2.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.846 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.7 -116.63 4.02 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.454 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.9 tptp -134.05 155.75 49.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.87 0.367 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.24 -161.39 30.16 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.471 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -175.68 143.09 6.43 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.502 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 33.1 t -79.68 147.88 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.794 0.33 . . . . 0.0 111.141 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.585 ' CE3' ' HB3' ' A' ' 16' ' ' GLU . 21.7 m95 -134.21 141.43 47.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 41.0 mtp180 -111.12 163.81 13.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -47.56 -44.84 26.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 21.0 p -61.96 -60.44 3.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.141 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.585 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 6.5 mm-40 -43.49 -45.06 6.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.829 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -65.11 -42.37 94.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -58.73 -51.33 70.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.464 ' HB ' HD21 ' A' ' 39' ' ' LEU . 19.9 mt -58.35 -50.61 77.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.134 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.776 HD12 HG21 ' A' ' 35' ' ' ILE . 18.8 tp -58.74 -60.34 3.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.532 ' HG3' HD13 ' A' ' 55' ' ' LEU . 17.3 mtpp -40.62 -59.73 1.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.918 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 25' ' ' MET . . . -52.75 -62.91 1.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.061 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.581 ' HB1' HG12 ' A' ' 35' ' ' ILE . . . -39.11 -55.19 1.66 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.115 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.5 HG22 ' CZ3' ' A' ' 32' ' ' TRP . 92.4 t -51.56 -36.86 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.417 ' N ' ' O ' ' A' ' 22' ' ' ALA . 29.8 mmt -73.08 -31.97 64.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.571 ' HD3' ' CE1' ' A' ' 27' ' ' TYR . 43.5 tttm -82.26 -66.03 0.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.571 ' CE1' ' HD3' ' A' ' 26' ' ' LYS . 4.8 m-85 -69.42 -31.89 70.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.937 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.415 ' CA ' ' O ' ' A' ' 24' ' ' VAL . . . 105.34 175.32 24.23 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.482 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.0 mttt -84.89 36.36 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.812 0.339 . . . . 0.0 110.883 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -130.97 -32.26 1.64 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -86.26 39.93 0.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.5 ' CZ3' HG22 ' A' ' 24' ' ' VAL . 58.3 m95 -54.97 -41.43 71.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 34.8 p -57.92 -51.15 70.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.3 ttt85 -60.52 -51.89 67.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.776 HG21 HD12 ' A' ' 20' ' ' LEU . 78.1 mt -45.37 -47.45 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.147 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.31 -36.08 30.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.103 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.6 t -54.37 -41.46 69.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.507 HD11 ' HE2' ' A' ' 27' ' ' TYR . 24.5 mt -57.12 -49.13 76.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.932 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.53 HD22 ' CD ' ' A' ' 16' ' ' GLU . 7.6 mt -86.22 137.94 32.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.551 ' CD2' ' HG3' ' A' ' 41' ' ' ARG . 1.2 p-80 -84.88 142.22 29.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.551 ' HG3' ' CD2' ' A' ' 40' ' ' HIS . 39.2 mtt180 64.52 37.07 8.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.53 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 22.9 mmtm -134.84 154.08 51.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.8 m -138.08 159.41 42.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.859 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -40.94 -43.27 2.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.116 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.59 -56.33 22.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -59.55 -46.56 88.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 63.8 m -57.32 -47.77 80.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.9 tttt -66.09 -44.79 83.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.945 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.7 -63.01 1.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.102 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.504 ' HG2' ' CD2' ' A' ' 12' ' ' TRP . 10.1 tpt180 -47.81 -40.72 21.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.508 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 38.8 t-105 -64.36 -71.84 0.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -56.19 -19.26 12.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -66.34 -56.69 9.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.458 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 4.2 m95 -127.96 -41.07 1.65 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.532 HD13 ' HG3' ' A' ' 21' ' ' LYS . 1.4 mt -81.39 91.5 6.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.908 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -173.92 140.91 0.82 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.594 0.712 . . . . 0.0 110.86 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -50.58 0.45 Allowed 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.708 2.272 . . . . 0.0 112.367 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.7 t -42.39 -39.0 2.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.851 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.582 HG22 ' HG3' ' A' ' 61' ' ' LYS . 76.4 mt -41.48 144.12 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.106 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 25.1 mmmt -82.16 84.35 7.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.582 ' HG3' HG22 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -167.93 -179.1 4.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.964 179.888 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.526 HG23 ' O ' ' A' ' 62' ' ' THR . 14.7 t -121.93 119.98 33.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.164 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -70.35 145.44 51.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 6.9 m-90 -45.37 -47.22 13.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.7 t -162.62 125.11 2.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.906 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 150.46 -94.92 0.16 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.469 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -179.83 3.17 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.694 2.263 . . . . 0.0 112.362 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 89.4 p 41.66 42.41 2.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.7 t -86.48 141.61 28.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.462 -179.974 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.7 t -45.76 -57.23 4.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.906 0.384 . . . . 0.0 110.865 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.6 t -60.75 110.15 1.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.905 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.19 75.54 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.462 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.5 p -93.7 148.26 22.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.848 0.356 . . . . 0.0 110.853 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.0 p -122.12 -32.32 3.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.59 166.59 26.46 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.491 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.62 142.48 44.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.815 0.34 . . . . 0.0 110.862 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' A' ' 11' ' ' VAL . . . 135.86 93.03 0.38 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.466 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.459 ' O ' ' CD1' ' A' ' 12' ' ' TRP . . . -49.18 91.37 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.447 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.439 ' C ' ' O ' ' A' ' 10' ' ' GLY . 3.8 p -34.84 152.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.811 0.339 . . . . 0.0 111.113 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.549 ' CZ2' ' HD2' ' A' ' 42' ' ' LYS . 28.6 m95 -124.34 159.58 29.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.2 mtp180 -119.62 157.43 28.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -43.49 -47.06 7.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.1 p -63.07 -59.85 4.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.442 ' OE1' HD22 ' A' ' 39' ' ' LEU . 7.3 mm-40 -44.25 -44.33 7.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.89 -48.53 68.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -51.47 -47.57 63.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.0 mt -62.12 -48.28 89.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.108 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.846 ' O ' HG23 ' A' ' 24' ' ' VAL . 32.9 tp -58.12 -57.15 14.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.586 ' HG3' HD13 ' A' ' 55' ' ' LEU . 17.8 mtmt -44.65 -67.02 0.32 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -48.11 -60.69 2.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.133 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.23 -50.66 6.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.078 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.846 HG23 ' O ' ' A' ' 20' ' ' LEU . 47.9 t -55.29 -30.19 24.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.114 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 1.5 mtp -79.18 -36.98 39.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.562 ' HD3' ' CE1' ' A' ' 27' ' ' TYR . 36.1 tttp -75.07 -58.35 3.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.562 ' CE1' ' HD3' ' A' ' 26' ' ' LYS . 5.9 m-85 -80.94 -20.33 42.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.883 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.496 ' CA ' ' O ' ' A' ' 24' ' ' VAL . . . 96.83 -174.47 30.38 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt -96.33 25.14 5.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.809 0.338 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -112.32 -37.28 5.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -84.51 51.04 2.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 56.6 m95 -62.92 -43.54 98.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.59 ' HA ' ' HB2' ' A' ' 44' ' ' ALA . 37.9 p -57.53 -50.8 71.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.817 -179.749 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.0 ttt180 -60.67 -49.82 75.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.714 HG21 HD12 ' A' ' 20' ' ' LEU . 78.6 mt -48.9 -42.99 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.079 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.73 -41.7 74.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.07 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.7 t -49.96 -42.14 48.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.467 HD11 ' HE2' ' A' ' 27' ' ' TYR . 10.3 mt -54.1 -49.36 69.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.933 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.496 HD13 ' CZ3' ' A' ' 12' ' ' TRP . 7.0 mt -84.21 130.93 34.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.525 ' CE1' ' HG2' ' A' ' 41' ' ' ARG . 42.2 t60 -74.67 136.39 41.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.525 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 1.7 mmp_? 66.31 40.65 3.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.828 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.549 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 42.9 mmtm -135.24 145.85 48.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 44' ' ' ALA . 72.5 p -129.52 148.88 51.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.903 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.59 ' HB2' ' HA ' ' A' ' 33' ' ' SER . . . -34.95 -46.51 0.31 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.091 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -49.54 -58.27 5.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -59.49 -44.03 93.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.889 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 62.4 m -57.19 -42.36 81.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -71.97 -43.44 65.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.53 -63.99 0.95 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.424 ' CZ ' ' HB2' ' A' ' 12' ' ' TRP . 10.5 tpt180 -44.58 -41.36 6.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.462 ' NE1' ' OD1' ' A' ' 56' ' ' ASP . 21.5 t-105 -66.07 -72.93 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.953 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -55.18 -16.18 2.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.914 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -71.13 -54.05 12.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 4.6 m95 -128.03 -41.43 1.62 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.923 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.586 HD13 ' HG3' ' A' ' 21' ' ' LYS . 1.2 mt -82.64 94.03 7.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.952 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.462 ' OD1' ' NE1' ' A' ' 51' ' ' TRP . 5.4 t70 -174.84 140.81 0.68 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.539 0.685 . . . . 0.0 110.888 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.424 ' HD2' ' CG ' ' A' ' 56' ' ' ASP . 53.6 Cg_endo -69.75 -51.03 0.41 Allowed 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.699 2.266 . . . . 0.0 112.329 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 57' ' ' PRO . 48.0 t -38.28 -37.89 0.32 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 69.9 mt -45.84 139.56 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.151 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt -83.99 79.98 9.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -91.9 165.6 13.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.895 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.9 t -65.69 -25.54 67.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.182 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -50.5 125.69 13.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 22.2 m95 -68.48 169.24 11.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 66' ' ' GLY . 66.8 p -120.42 173.76 6.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.831 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 65' ' ' SER . . . -35.92 146.19 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.496 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -0.77 7.38 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.66 2.24 . . . . 0.0 112.356 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 18.5 p -58.08 -33.62 69.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.817 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 23.3 m -130.5 119.01 21.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.506 -179.985 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.577 ' CH2' HD22 ' A' ' 20' ' ' LEU . 21.0 m95 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.736 0.303 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 14' ' ' ASN . 38.6 mmm-85 -109.36 147.64 32.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 13' ' ' ARG . 16.5 p-10 -34.73 -53.41 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.2 p -50.68 -61.19 2.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.431 ' HA ' ' CD2' ' A' ' 39' ' ' LEU . 56.9 mt-10 -47.41 -45.31 25.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.942 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.21 -45.76 90.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -55.82 -49.44 73.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.1 mt -64.54 -46.63 92.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.577 HD22 ' CH2' ' A' ' 12' ' ' TRP . 37.8 tp -59.69 -61.49 2.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.567 ' HG3' HD13 ' A' ' 55' ' ' LEU . 6.5 mtpm? -43.53 -47.52 7.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 25' ' ' MET . . . -64.36 -66.37 0.55 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -39.05 -55.67 1.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.089 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.473 ' CG2' ' CZ3' ' A' ' 32' ' ' TRP . 80.0 t -52.5 -33.95 18.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.152 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.448 ' N ' ' O ' ' A' ' 22' ' ' ALA . 12.6 mmt -76.34 -31.27 58.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.908 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.0 tttp -82.44 -63.61 1.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.455 ' HE2' HD11 ' A' ' 38' ' ' LEU . 5.1 m-85 -72.9 -30.17 63.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.851 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.406 ' CA ' ' O ' ' A' ' 24' ' ' VAL . . . 104.06 174.49 25.45 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.49 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.433 ' HE3' ' CZ2' ' A' ' 51' ' ' TRP . 11.7 mttp -85.74 43.22 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.786 0.327 . . . . 0.0 110.877 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -131.29 -39.29 1.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.87 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -82.91 38.11 0.57 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.473 ' CZ3' ' CG2' ' A' ' 24' ' ' VAL . 56.9 m95 -52.04 -38.02 55.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.966 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 61.9 p -62.53 -51.79 66.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -60.12 -42.86 95.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.856 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.401 HD13 HG22 ' A' ' 24' ' ' VAL . 70.3 mt -57.92 -43.91 85.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.15 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.69 -41.14 42.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.08 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.9 m -54.82 -38.83 67.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.455 HD11 ' HE2' ' A' ' 27' ' ' TYR . 23.6 mt -55.47 -46.61 76.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.858 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.504 HD13 ' CH2' ' A' ' 12' ' ' TRP . 6.3 mt -90.65 139.43 30.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.548 ' CD2' ' HG3' ' A' ' 41' ' ' ARG . 2.8 p-80 -82.12 133.1 35.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.548 ' HG3' ' CD2' ' A' ' 40' ' ' HIS . 8.9 mtt-85 71.26 35.27 1.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.839 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.9 mmtm -131.53 154.5 48.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 37.4 p -141.55 163.19 33.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.852 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -43.92 -42.78 6.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.064 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.14 -48.35 80.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -66.14 -54.62 23.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.938 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 88.4 m -52.36 -43.78 64.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.8 tttm -70.19 -42.27 72.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.902 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.22 -65.23 0.7 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.509 ' HG2' ' CE2' ' A' ' 12' ' ' TRP . 5.9 tpt180 -45.04 -40.26 6.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.539 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 34.1 t-105 -63.62 -71.57 0.17 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -54.6 -21.71 11.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.966 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -64.79 -59.62 4.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.92 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 5.3 m95 -123.85 -42.5 2.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.928 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.567 HD13 ' HG3' ' A' ' 21' ' ' LYS . 0.9 OUTLIER -82.83 89.23 6.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.423 ' CG ' ' HD2' ' A' ' 57' ' ' PRO . 7.8 t70 -168.13 139.84 2.36 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.594 0.711 . . . . 0.0 110.841 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.423 ' HD2' ' CG ' ' A' ' 56' ' ' ASP . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.168 0 C-N-CA 122.674 2.249 . . . . 0.0 112.314 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.612 ' CH2' HD13 ' A' ' 39' ' ' LEU . 6.9 m95 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.751 0.31 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.9 mmt180 -126.76 146.41 50.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.888 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -42.67 -47.17 5.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 36.5 p -58.72 -51.65 69.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.559 ' HB3' ' CZ3' ' A' ' 12' ' ' TRP . 21.1 mt-10 -53.98 -42.87 69.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.86 -46.34 88.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -61.61 -53.5 55.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 21.9 mt -58.07 -47.35 87.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.152 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.582 HD12 HG21 ' A' ' 35' ' ' ILE . 21.7 tp -60.47 -60.76 3.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.612 ' HG3' HD13 ' A' ' 55' ' ' LEU . 18.8 mtpp -41.75 -50.58 4.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.36 -59.59 5.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.098 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 26' ' ' LYS . . . -42.31 -55.06 3.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.091 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.453 HG22 ' CZ3' ' A' ' 32' ' ' TRP . 59.6 t -45.15 -35.19 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.6 mmt -78.0 -27.98 49.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.555 ' HD2' ' CD1' ' A' ' 27' ' ' TYR . 6.2 tmtt? -84.05 -63.88 1.27 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.555 ' CD1' ' HD2' ' A' ' 26' ' ' LYS . 36.1 m-85 -73.56 -35.07 65.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 108.87 176.7 21.63 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.482 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 43.0 mttp -87.53 28.02 1.03 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.864 0.364 . . . . 0.0 110.948 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -124.69 -30.19 3.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -85.07 30.32 0.6 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.453 ' CZ3' HG22 ' A' ' 24' ' ' VAL . 51.5 m95 -47.58 -37.85 13.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.697 ' HA ' ' HB2' ' A' ' 44' ' ' ALA . 69.9 m -62.89 -50.92 69.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.862 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 38.5 ttt85 -62.72 -46.88 86.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.582 HG21 HD12 ' A' ' 20' ' ' LEU . 86.7 mt -49.0 -50.16 14.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -44.68 -42.78 7.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.092 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.1 t -50.39 -41.47 52.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.4 mt -55.19 -50.58 69.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.612 HD13 ' CH2' ' A' ' 12' ' ' TRP . 6.8 mt -84.16 136.04 34.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.452 ' CD2' ' HG3' ' A' ' 41' ' ' ARG . 2.2 p-80 -83.72 138.07 33.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.452 ' HG3' ' CD2' ' A' ' 40' ' ' HIS . 40.3 mtt-85 69.46 39.31 1.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.493 ' HE2' ' CE2' ' A' ' 12' ' ' TRP . 44.2 mmtm -140.54 171.91 13.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.3 t -151.54 164.67 36.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.697 ' HB2' ' HA ' ' A' ' 33' ' ' SER . . . -46.02 -54.75 7.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.075 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.7 tmtm? -46.62 -53.14 12.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -60.25 -50.53 73.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 69.1 m -53.18 -38.39 62.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 42.8 tttm -74.69 -40.17 61.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.415 ' O ' ' CG ' ' A' ' 53' ' ' GLU . . . -70.02 -64.56 0.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.49 ' HG2' ' CE2' ' A' ' 12' ' ' TRP . 6.6 tpt180 -44.72 -39.07 4.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.506 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 29.3 t-105 -66.58 -73.12 0.14 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -54.45 -17.78 3.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.953 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.415 ' CG ' ' O ' ' A' ' 49' ' ' ALA . 4.7 mm-40 -68.71 -55.87 9.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 4.2 m95 -127.94 -38.46 1.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.612 HD13 ' HG3' ' A' ' 21' ' ' LYS . 1.4 mt -83.85 91.84 7.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.42 ' CG ' ' HD2' ' A' ' 57' ' ' PRO . 14.1 t70 -173.37 140.13 0.86 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.6 0.714 . . . . 0.0 110.831 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.42 ' HD2' ' CG ' ' A' ' 56' ' ' ASP . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.171 0 C-N-CA 122.676 2.25 . . . . 0.0 112.315 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.583 ' CE3' ' HB3' ' A' ' 16' ' ' GLU . 7.6 m95 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.769 0.319 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 14' ' ' ASN . 25.1 mtt180 -112.21 148.39 34.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 13' ' ' ARG . 9.7 p-10 -37.79 -53.83 1.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 40.7 p -54.81 -59.24 4.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.583 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 7.3 mm-40 -43.27 -43.55 4.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.888 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.52 -47.64 66.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -52.17 -42.47 63.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.463 ' HB ' HD21 ' A' ' 39' ' ' LEU . 21.3 mt -69.07 -53.49 25.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.191 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.68 HD12 HG21 ' A' ' 35' ' ' ILE . 27.8 tp -54.63 -63.73 1.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.629 ' HG3' HD13 ' A' ' 55' ' ' LEU . 17.2 mtpp -38.43 -56.24 1.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.09 -55.95 25.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.87 -51.15 42.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.094 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.489 ' CG1' ' HG3' ' A' ' 29' ' ' LYS . 98.8 t -56.41 -26.0 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.15 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 7.5 mmt -84.3 -27.18 28.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 59.8 tttt -87.36 -60.86 1.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.559 ' HE2' HD11 ' A' ' 38' ' ' LEU . 6.7 m-85 -76.03 -31.23 58.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.9 169.69 26.27 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.519 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.489 ' HG3' ' CG1' ' A' ' 24' ' ' VAL . 14.8 mtmm -80.72 43.22 0.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.798 0.332 . . . . 0.0 110.861 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 50.9 m-80 -133.22 -38.12 0.96 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -83.68 49.5 1.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.449 ' CZ3' HG22 ' A' ' 24' ' ' VAL . 64.1 m95 -63.44 -48.44 77.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.63 ' HA ' ' HB2' ' A' ' 44' ' ' ALA . 78.0 p -55.01 -34.83 63.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -79.34 -44.58 21.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.68 HG21 HD12 ' A' ' 20' ' ' LEU . 62.0 mt -55.91 -50.98 65.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.107 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -45.0 -36.73 3.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.131 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 46.8 t -56.72 -39.95 74.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.559 HD11 ' HE2' ' A' ' 27' ' ' TYR . 18.1 mt -54.33 -45.25 72.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.878 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.475 HD13 ' CH2' ' A' ' 12' ' ' TRP . 6.1 mt -89.8 133.17 34.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.529 ' CE1' ' HG2' ' A' ' 41' ' ' ARG . 16.0 t-80 -76.34 138.72 40.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.529 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 16.3 mmt180 65.21 33.21 9.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.834 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.477 ' HE3' ' NE1' ' A' ' 12' ' ' TRP . 34.2 mmtm -132.05 135.43 46.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.918 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 32.8 p -113.43 158.71 20.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.63 ' HB2' ' HA ' ' A' ' 33' ' ' SER . . . -42.51 -44.43 4.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.147 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.7 tttt -55.66 -52.69 62.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.873 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 10.3 mt-30 -55.17 -40.05 70.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 64.6 m -64.6 -55.52 19.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 49.2 tttm -58.01 -49.88 75.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.61 -65.25 0.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.113 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.451 ' CZ ' ' HB2' ' A' ' 12' ' ' TRP . 10.3 tpt180 -46.8 -35.91 6.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.545 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 31.9 t-105 -68.59 -70.33 0.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -55.93 -19.24 11.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -67.4 -59.63 3.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 5.7 m95 -123.76 -41.69 2.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.629 HD13 ' HG3' ' A' ' 21' ' ' LYS . 0.9 OUTLIER -82.32 88.96 6.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.424 ' CG ' ' HD2' ' A' ' 57' ' ' PRO . 8.3 t70 -170.47 139.81 1.45 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.621 0.724 . . . . 0.0 110.899 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.424 ' HD2' ' CG ' ' A' ' 56' ' ' ASP . 53.8 Cg_endo . . . . . 0 C--O 1.232 0.186 0 C-N-CA 122.737 2.292 . . . . 0.0 112.326 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.451 ' CH2' HD13 ' A' ' 39' ' ' LEU . 9.7 m95 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.759 0.314 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.434 ' O ' ' C ' ' A' ' 14' ' ' ASN . 29.0 mtm180 -106.77 143.67 34.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.434 ' C ' ' O ' ' A' ' 13' ' ' ARG . 2.5 p30 -35.12 -54.02 0.6 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 27.7 p -49.53 -57.66 6.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.14 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.451 ' HA ' ' CD2' ' A' ' 39' ' ' LEU . 43.1 mt-10 -53.51 -40.75 65.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.0 -49.18 73.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.832 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -55.21 -53.52 54.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 26.4 mt -55.25 -42.82 68.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.142 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.793 ' O ' HG23 ' A' ' 24' ' ' VAL . 27.2 tp -65.59 -61.04 2.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.556 ' CG ' HD13 ' A' ' 55' ' ' LEU . 52.1 mtmt -44.64 -59.39 2.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.99 -59.03 5.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.9 -50.56 8.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.13 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.793 HG23 ' O ' ' A' ' 20' ' ' LEU . 48.9 t -51.24 -34.81 15.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.105 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.4 mmt -77.06 -34.38 57.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.405 ' HE2' ' CZ ' ' A' ' 27' ' ' TYR . 51.1 tttt -78.81 -64.83 1.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.405 ' CZ ' ' HE2' ' A' ' 26' ' ' LYS . 55.0 m-85 -71.11 -32.02 68.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 105.13 -178.57 23.64 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.464 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 85.2 mttt -93.7 29.63 1.99 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -122.95 -33.67 3.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -85.76 37.29 0.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.4 ' HA ' HD12 ' A' ' 35' ' ' ILE . 53.7 m95 -50.61 -39.95 51.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.6 p -63.11 -48.92 76.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 48.0 ttt85 -63.26 -44.9 93.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.845 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.4 HD12 ' HA ' ' A' ' 32' ' ' TRP . 79.6 mt -52.5 -49.92 41.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.512 ' HB1' ' O ' ' A' ' 42' ' ' LYS . . . -46.99 -40.68 14.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.095 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.0 t -48.29 -42.05 29.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.846 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.5 mt -54.73 -45.53 74.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.923 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.451 ' CD2' ' HA ' ' A' ' 16' ' ' GLU . 7.9 mt -87.47 141.68 28.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.912 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.476 ' CD2' ' HG2' ' A' ' 41' ' ' ARG . 15.2 t-80 -83.62 134.35 34.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.476 ' HG2' ' CD2' ' A' ' 40' ' ' HIS . 12.3 mmm180 63.63 47.07 3.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.512 ' O ' ' HB1' ' A' ' 36' ' ' ALA . 43.3 mmtm -143.14 134.96 26.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 17.7 m -116.23 160.75 20.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -41.78 -44.67 3.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.121 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.6 tptp -52.73 -46.54 67.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 -65.09 -54.42 30.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 68.5 m -51.18 -43.22 61.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.3 tttm -71.4 -37.47 71.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.42 -65.31 0.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.06 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -47.63 -37.14 12.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.55 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 38.5 t-105 -66.06 -69.18 0.32 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -57.41 -21.66 37.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -64.16 -58.48 6.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 5.2 m95 -125.9 -42.4 1.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.556 HD13 ' CG ' ' A' ' 21' ' ' LYS . 0.9 OUTLIER -82.7 84.52 7.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.402 ' OD1' ' N ' ' A' ' 57' ' ' PRO . 0.8 OUTLIER -167.36 133.66 1.78 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.589 0.709 . . . . 0.0 110.85 179.879 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.402 ' N ' ' OD1' ' A' ' 56' ' ' ASP . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.17 0 C-N-CA 122.637 2.225 . . . . 0.0 112.346 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.539 ' CZ2' ' HD2' ' A' ' 42' ' ' LYS . 36.4 m95 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.777 0.322 . . . . 0.0 110.957 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.3 mmm180 -108.25 155.88 19.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.844 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -38.99 -56.14 1.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 14.0 p -55.1 -60.4 3.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.168 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -42.97 -38.8 2.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.62 -46.05 49.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -56.83 -35.5 68.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.461 ' HB ' HD21 ' A' ' 39' ' ' LEU . 27.6 mt -69.09 -41.88 81.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.793 HD23 HD12 ' A' ' 55' ' ' LEU . 30.6 tp -60.71 -69.04 0.25 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.897 ' HD2' HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -34.19 -57.14 0.49 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.836 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.86 -63.06 1.27 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.175 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -44.96 -53.2 7.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.099 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 76.0 t -50.68 -32.32 10.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.14 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 12.1 mmt -77.38 -36.99 53.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.5 tttp -77.87 -62.85 1.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.923 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.464 ' CD2' ' HD3' ' A' ' 34' ' ' ARG . 70.8 m-85 -71.32 -30.06 65.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.864 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 100.13 170.28 29.6 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.438 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.49 ' HE3' ' CZ2' ' A' ' 51' ' ' TRP . 26.6 mttp -84.2 37.66 0.63 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.806 0.336 . . . . 0.0 110.875 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -130.3 -31.41 1.86 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -88.64 37.93 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 48.3 m95 -49.28 -39.55 31.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 40.1 t -62.05 -47.59 84.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.85 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.464 ' HD3' ' CD2' ' A' ' 27' ' ' TYR . 26.3 ttt180 -66.52 -42.5 87.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.852 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.538 HG21 HD12 ' A' ' 20' ' ' LEU . 88.5 mt -56.1 -39.6 59.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.03 -43.56 91.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.092 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 58.3 m -49.03 -42.1 37.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.9 mt -55.03 -42.68 72.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.461 HD21 ' HB ' ' A' ' 19' ' ' ILE . 6.9 mt -91.57 125.32 36.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.527 ' CD2' ' HG2' ' A' ' 41' ' ' ARG . 56.8 t60 -70.33 134.31 47.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.912 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.527 ' HG2' ' CD2' ' A' ' 40' ' ' HIS . 26.4 mmm-85 67.25 43.11 2.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.859 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.539 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 23.3 mmtm -141.1 137.11 32.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.0 t -119.19 159.42 24.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -43.4 -41.93 4.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.075 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.2 tmtt? -56.1 -50.81 70.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -63.07 -44.16 96.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 69.3 m -59.21 -46.2 89.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.3 tttt -66.6 -47.64 72.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.8 -63.21 1.28 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.116 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.519 ' HG2' ' CD2' ' A' ' 12' ' ' TRP . 5.8 tpt180 -46.08 -39.38 9.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.52 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 24.5 t-105 -66.8 -74.22 0.12 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -53.14 -19.94 3.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.964 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -66.27 -55.79 14.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.837 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 4.6 m95 -127.93 -38.07 1.87 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.897 HD13 ' HD2' ' A' ' 21' ' ' LYS . 1.3 mt -84.64 90.58 7.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.4 ' CG ' ' HD2' ' A' ' 57' ' ' PRO . 19.7 t70 -172.45 139.56 0.98 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.647 0.737 . . . . 0.0 110.85 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.4 ' HD2' ' CG ' ' A' ' 56' ' ' ASP . 53.7 Cg_endo . . . . . 0 C--N 1.342 0.217 0 C-N-CA 122.655 2.236 . . . . 0.0 112.348 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.564 ' CH2' HD13 ' A' ' 39' ' ' LEU . 23.9 m95 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.773 0.321 . . . . 0.0 110.954 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 60.3 mtt180 -104.8 157.83 16.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -44.34 -47.95 9.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 44.6 p -57.81 -50.06 74.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.148 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -56.19 -41.93 76.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.526 ' OD2' HD21 ' A' ' 55' ' ' LEU . 0.5 OUTLIER -68.82 -46.63 68.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.899 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -54.53 -47.17 73.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 27.0 mt -63.11 -44.44 99.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.877 ' O ' HG23 ' A' ' 24' ' ' VAL . 37.0 tp -61.21 -59.18 5.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.472 ' HG3' HD13 ' A' ' 55' ' ' LEU . 27.3 mtmt -42.64 -59.3 1.96 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 25' ' ' MET . . . -57.11 -63.99 1.03 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.066 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -39.14 -52.11 1.9 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.081 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.877 HG23 ' O ' ' A' ' 20' ' ' LEU . 42.5 t -51.52 -37.78 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.087 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.423 ' N ' ' O ' ' A' ' 22' ' ' ALA . 18.1 mmt -74.69 -35.29 62.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.85 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -70.1 -62.34 1.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -78.42 -32.56 48.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.936 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.49 ' CA ' ' O ' ' A' ' 24' ' ' VAL . . . 107.78 170.75 21.78 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.427 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.0 mttp -81.67 41.27 0.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.832 0.348 . . . . 0.0 110.95 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 -132.05 -34.53 1.27 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -85.88 40.72 0.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 52.8 m95 -54.81 -40.15 69.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.495 ' HA ' ' HB2' ' A' ' 44' ' ' ALA . 89.8 p -64.35 -39.79 94.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.95 -40.76 65.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.893 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.604 HG21 HD12 ' A' ' 20' ' ' LEU . 90.1 mt -58.47 -38.99 73.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.11 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.97 -41.94 71.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.128 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.1 m -51.82 -40.97 61.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.846 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.5 mt -55.75 -45.82 77.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.564 HD13 ' CH2' ' A' ' 12' ' ' TRP . 10.5 mt -87.03 123.29 31.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 17.5 t-160 -69.6 134.62 48.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 40.6 mtm-85 68.36 43.91 1.4 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.828 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.558 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 21.1 mmtm -139.49 170.48 15.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.1 t -153.6 161.28 42.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.495 ' HB2' ' HA ' ' A' ' 33' ' ' SER . . . -42.48 -62.37 0.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.132 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.2 tptp -41.94 -52.17 4.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -59.31 -51.56 69.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 67.1 m -52.41 -48.35 65.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.0 tttm -64.23 -45.02 90.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.19 -64.34 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.047 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.513 ' HG2' ' CD2' ' A' ' 12' ' ' TRP . 8.3 tpt180 -47.31 -41.12 18.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.539 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 38.8 t-105 -63.24 -71.89 0.15 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.958 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -55.91 -20.55 16.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -64.76 -56.84 11.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.951 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.417 ' CD1' ' NH1' ' A' ' 50' ' ' ARG . 4.9 m95 -128.01 -41.2 1.63 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.952 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.554 HD12 HD23 ' A' ' 20' ' ' LEU . 1.1 mt -81.76 90.44 6.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.912 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.414 ' CG ' ' HD2' ' A' ' 57' ' ' PRO . 9.6 t70 -173.33 140.28 0.87 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.581 0.705 . . . . 0.0 110.859 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.414 ' HD2' ' CG ' ' A' ' 56' ' ' ASP . 54.1 Cg_endo . . . . . 0 C--N 1.342 0.185 0 C-N-CA 122.63 2.22 . . . . 0.0 112.344 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.473 ' CH2' HD13 ' A' ' 39' ' ' LEU . 29.1 m95 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.798 0.333 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.7 mmt85 -105.7 157.34 17.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.838 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -40.38 -54.43 2.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 21.6 p -55.51 -59.67 4.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.464 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 6.7 mm-40 -42.94 -41.88 3.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -66.71 -44.71 80.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -56.52 -52.11 65.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.483 ' HB ' HD21 ' A' ' 39' ' ' LEU . 23.4 mt -53.28 -49.62 51.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.766 HD12 HG21 ' A' ' 35' ' ' ILE . 17.0 tp -62.9 -59.61 4.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.953 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.574 ' HG3' HD13 ' A' ' 55' ' ' LEU . 24.4 mtpp -42.98 -53.33 4.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.93 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 25' ' ' MET . . . -60.08 -66.06 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.086 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -38.98 -51.66 1.8 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.636 HG22 HD13 ' A' ' 35' ' ' ILE . 88.4 t -52.32 -38.18 24.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.165 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.415 ' N ' ' O ' ' A' ' 22' ' ' ALA . 8.0 mmt -70.28 -31.21 68.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.552 ' HD3' ' CE1' ' A' ' 27' ' ' TYR . 36.5 tttm -80.39 -66.06 0.93 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.858 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.552 ' CE1' ' HD3' ' A' ' 26' ' ' LYS . 4.3 m-85 -71.21 -29.19 64.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.912 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.465 ' CA ' ' O ' ' A' ' 24' ' ' VAL . . . 107.42 177.94 22.53 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.533 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.463 ' HG2' ' CG1' ' A' ' 24' ' ' VAL . 28.2 mttp -88.12 29.79 0.92 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.787 0.327 . . . . 0.0 110.898 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -123.16 -35.05 3.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -82.81 45.74 1.02 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.43 ' CD1' ' HD2' ' A' ' 48' ' ' LYS . 60.8 m95 -58.4 -39.89 80.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.2 p -62.35 -47.14 85.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.7 ttt180 -64.2 -41.42 97.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.766 HG21 HD12 ' A' ' 20' ' ' LEU . 61.8 mt -60.73 -44.05 96.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.69 -44.5 66.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.136 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.8 m -46.36 -42.42 14.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.482 HD11 ' HE2' ' A' ' 27' ' ' TYR . 21.1 mt -53.18 -52.47 58.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.93 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.483 HD21 ' HB ' ' A' ' 19' ' ' ILE . 4.1 mt -80.34 130.88 35.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.489 ' CE1' ' HG2' ' A' ' 41' ' ' ARG . 31.3 t60 -74.61 133.68 42.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.489 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 1.5 mmp_? 68.11 38.06 2.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.84 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -132.33 147.52 52.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 62.1 m -127.16 165.56 19.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -50.14 -52.11 37.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.059 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.9 mmmt -48.58 -50.85 30.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.872 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -59.45 -46.0 90.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 66.9 m -59.06 -48.49 81.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.43 ' HD2' ' CD1' ' A' ' 32' ' ' TRP . 12.6 tttp -64.79 -46.4 82.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.5 -63.24 1.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.104 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 -47.64 -40.88 20.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.495 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 19.5 t-105 -67.03 -69.16 0.33 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -57.04 -18.09 12.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -69.53 -55.05 11.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 4.3 m95 -126.78 -40.86 1.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.574 HD13 ' HG3' ' A' ' 21' ' ' LYS . 1.3 mt -82.71 89.08 6.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.933 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -170.72 137.02 1.17 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.632 0.73 . . . . 0.0 110.859 179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.341 0.182 0 C-N-CA 122.671 2.247 . . . . 0.0 112.375 -179.974 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.575 ' CE3' ' HB3' ' A' ' 16' ' ' GLU . 30.3 m95 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.756 0.312 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.7 mmm180 -100.56 157.58 16.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.828 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 -40.26 -54.24 2.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.2 p -54.55 -59.25 4.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.094 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.575 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 7.4 mm-40 -43.76 -44.62 6.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.939 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.72 -49.13 61.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -53.53 -46.68 70.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 46.1 mt -60.11 -49.41 84.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.132 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.654 HD23 HD12 ' A' ' 55' ' ' LEU . 22.8 tp -58.14 -65.75 0.59 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.456 ' C ' ' O ' ' A' ' 20' ' ' LEU . 9.7 mtmm -33.99 -52.22 0.44 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 25' ' ' MET . . . -68.27 -60.95 2.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.091 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -39.54 -52.1 2.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.094 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.486 ' O ' ' CA ' ' A' ' 28' ' ' GLY . 66.4 t -49.18 -37.73 10.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.414 ' N ' ' O ' ' A' ' 22' ' ' ALA . 16.2 mmt -77.94 -34.05 51.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.7 ttpt -69.15 -61.31 1.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -82.07 -34.45 29.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.937 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.486 ' CA ' ' O ' ' A' ' 24' ' ' VAL . . . 113.76 174.94 18.95 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.484 ' HG2' ' CG1' ' A' ' 24' ' ' VAL . 41.9 mttp -86.04 21.58 1.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.792 0.329 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -116.14 -33.35 5.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -86.47 45.58 1.26 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 52.1 m95 -57.83 -38.32 75.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.5 m -62.28 -49.96 73.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.888 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 43.7 ttt180 -62.02 -43.24 99.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.602 HG21 HD12 ' A' ' 20' ' ' LEU . 76.2 mt -55.87 -42.17 69.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.144 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.34 -35.17 64.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.05 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.1 t -58.92 -39.23 80.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.9 mt -59.11 -43.18 91.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.945 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.416 HD22 ' OE1' ' A' ' 16' ' ' GLU . 7.1 mt -86.26 138.05 32.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.574 ' CD2' ' HG2' ' A' ' 41' ' ' ARG . 11.0 t-160 -84.11 133.89 34.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.574 ' HG2' ' CD2' ' A' ' 40' ' ' HIS . 15.3 mmm180 67.26 43.72 1.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.429 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 27.2 mmtt -139.66 161.27 37.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.2 t -142.54 163.16 33.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.881 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -47.51 -41.35 20.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.095 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.414 ' HD3' ' C ' ' A' ' 45' ' ' LYS . 1.2 tmtp? -56.84 -54.45 46.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.864 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 42.9 mm-40 -63.34 -46.96 84.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 61.8 m -56.57 -45.48 81.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.8 tttm -69.74 -43.41 72.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.943 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.17 -65.41 0.68 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.111 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.44 ' HG2' ' CE2' ' A' ' 12' ' ' TRP . 6.3 tpt180 -43.95 -40.94 4.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.552 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 31.3 t-105 -63.58 -70.05 0.24 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -56.95 -18.73 14.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.905 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -67.37 -56.29 10.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 6.3 m95 -127.81 -40.7 1.7 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.654 HD12 HD23 ' A' ' 20' ' ' LEU . 0.8 OUTLIER -81.87 89.38 6.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -170.64 141.72 1.57 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.536 0.684 . . . . 0.0 110.886 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.149 0 C-N-CA 122.711 2.274 . . . . 0.0 112.348 -179.987 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.579 ' CE3' ' HB3' ' A' ' 16' ' ' GLU . 12.8 m95 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.763 0.316 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 14' ' ' ASN . 57.3 mtt180 -100.29 147.49 25.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 13' ' ' ARG . 0.6 OUTLIER -36.02 -55.24 0.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.91 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.5 p -50.79 -58.76 5.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.119 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.579 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 7.5 mm-40 -46.46 -49.94 17.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.14 -44.3 97.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -56.82 -56.01 27.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 21.5 mt -53.9 -44.33 60.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.1 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.771 ' O ' HG23 ' A' ' 24' ' ' VAL . 21.2 tp -62.99 -58.1 8.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.614 ' HG3' HD13 ' A' ' 55' ' ' LEU . 6.6 mtpm? -42.03 -58.7 1.99 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.69 -64.78 0.7 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.102 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.67 -54.36 5.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.078 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.771 HG23 ' O ' ' A' ' 20' ' ' LEU . 40.5 t -50.02 -29.13 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 6.4 mmt -82.69 -25.4 33.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.611 ' HD2' ' CE1' ' A' ' 27' ' ' TYR . 21.2 ttmt -91.96 -62.05 1.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.862 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.803 ' HE2' HD11 ' A' ' 38' ' ' LEU . 5.8 m-85 -72.85 -35.07 67.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.976 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 100.22 179.47 30.01 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.473 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.06 42.76 1.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.823 0.344 . . . . 0.0 110.866 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -132.79 -33.17 1.21 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.835 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -91.09 38.25 0.96 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 54.9 m95 -52.65 -36.67 57.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.41 ' HA ' ' HB2' ' A' ' 44' ' ' ALA . 3.7 m -60.0 -43.72 95.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.3 ttt-85 -71.64 -51.66 21.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.853 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.662 HG21 HD12 ' A' ' 20' ' ' LEU . 46.0 mt -43.84 -50.43 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.141 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -45.12 -38.39 5.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.092 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.9 t -53.9 -39.4 65.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.818 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.803 HD11 ' HE2' ' A' ' 27' ' ' TYR . 38.6 mt -60.19 -44.08 95.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.516 HD13 ' CH2' ' A' ' 12' ' ' TRP . 10.3 mt -87.24 150.84 23.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.444 ' CE1' ' HG2' ' A' ' 41' ' ' ARG . 13.6 t-80 -100.77 137.65 38.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.83 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.444 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 1.6 mmp_? 67.64 34.94 4.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.847 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -136.18 151.15 49.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 44' ' ' ALA . 73.2 m -126.84 153.61 45.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.41 ' HB2' ' HA ' ' A' ' 33' ' ' SER . . . -37.44 -47.93 0.91 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.175 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -49.55 -57.06 7.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -55.68 -58.94 5.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 92.8 m -46.41 -39.81 11.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.4 tttm -70.36 -39.81 74.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.99 -65.29 0.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.098 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.507 ' HG2' ' CD2' ' A' ' 12' ' ' TRP . 6.4 tpt180 -43.29 -34.16 1.14 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.542 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 13.0 t-105 -74.01 -70.62 0.38 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.41 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 15.1 m-85 -57.16 -13.74 3.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.95 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.418 ' O ' ' CE3' ' A' ' 54' ' ' TRP . 14.8 mt-10 -75.65 -51.53 12.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.418 ' CE3' ' O ' ' A' ' 53' ' ' GLU . 4.9 m95 -127.85 -41.88 1.62 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.614 HD13 ' HG3' ' A' ' 21' ' ' LYS . 0.9 OUTLIER -85.23 90.76 7.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.883 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.417 ' CG ' ' HD2' ' A' ' 57' ' ' PRO . 18.9 t70 -171.55 139.91 1.18 Allowed Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.612 0.72 . . . . 0.0 110.847 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.417 ' HD2' ' CG ' ' A' ' 56' ' ' ASP . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.173 0 C-N-CA 122.698 2.265 . . . . 0.0 112.323 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.639 ' CH2' HD13 ' A' ' 39' ' ' LEU . 52.8 m95 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.788 0.328 . . . . 0.0 110.905 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 53.8 mtt85 -127.31 164.87 20.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.835 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -44.65 -46.19 10.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 34.3 p -60.4 -56.43 21.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.184 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.469 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 41.8 mt-10 -48.66 -46.8 40.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.644 ' OD1' HD11 ' A' ' 55' ' ' LEU . 8.7 m-20 -60.1 -48.89 79.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -54.3 -54.44 40.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 26.5 mt -56.7 -58.49 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.13 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.759 ' O ' HG23 ' A' ' 24' ' ' VAL . 22.8 tp -50.51 -55.31 16.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.959 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.575 ' HG3' HD13 ' A' ' 55' ' ' LEU . 26.9 mtpt -45.61 -53.23 9.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' A' ' 25' ' ' MET . . . -63.5 -60.92 2.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.105 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -38.98 -51.58 1.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.759 HG23 ' O ' ' A' ' 20' ' ' LEU . 58.3 t -48.06 -39.54 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.404 ' N ' ' O ' ' A' ' 22' ' ' ALA . 10.1 mmt -76.74 -34.24 58.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.521 ' HD3' ' CE1' ' A' ' 27' ' ' TYR . 45.8 tttm -73.09 -64.26 1.01 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.521 ' CE1' ' HD3' ' A' ' 26' ' ' LYS . 86.5 m-85 -77.33 -31.99 54.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.495 ' CA ' ' O ' ' A' ' 24' ' ' VAL . . . 113.02 173.73 18.9 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.456 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.462 ' O ' ' NE1' ' A' ' 32' ' ' TRP . 43.1 mttt -86.62 18.62 3.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.8 0.333 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 -116.17 -29.79 6.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -83.71 39.06 0.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.476 ' CZ3' HG22 ' A' ' 24' ' ' VAL . 54.9 m95 -55.38 -40.87 71.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.615 ' HA ' ' HB2' ' A' ' 44' ' ' ALA . 4.4 t -63.21 -48.36 78.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 35.1 ttt85 -64.4 -43.91 92.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.427 HG21 HD12 ' A' ' 20' ' ' LEU . 97.8 mt -55.62 -47.31 79.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -45.37 -43.86 11.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 54.5 m -47.57 -41.63 21.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.4 mt -56.03 -45.87 79.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.921 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.639 HD13 ' CH2' ' A' ' 12' ' ' TRP . 8.0 mt -86.45 131.46 34.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -76.65 134.16 39.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.856 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 27.1 mtm180 67.06 40.16 2.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.539 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 33.5 mmtm -138.16 138.26 38.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 44' ' ' ALA . 7.9 t -117.69 155.75 29.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.615 ' HB2' ' HA ' ' A' ' 33' ' ' SER . . . -35.88 -59.99 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.068 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.5 tppt? -38.02 -61.79 0.62 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.416 ' N ' ' CD ' ' A' ' 46' ' ' GLN . 0.9 OUTLIER -47.71 -61.95 1.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 70.9 m -41.19 -43.51 2.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -72.58 -40.64 66.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.86 -65.29 0.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.517 ' HG2' ' CD2' ' A' ' 12' ' ' TRP . 6.5 tpt180 -43.55 -39.51 3.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.481 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 24.2 t-105 -66.11 -73.03 0.14 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.957 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -53.69 -19.2 3.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -67.76 -55.52 12.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 5.1 m95 -127.97 -40.22 1.71 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.943 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.644 HD11 ' OD1' ' A' ' 17' ' ' ASP . 1.1 mt -83.15 93.09 7.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.43 ' CG ' ' HD2' ' A' ' 57' ' ' PRO . 10.6 t70 -173.75 139.94 0.8 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.667 0.746 . . . . 0.0 110.832 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.43 ' HD2' ' CG ' ' A' ' 56' ' ' ASP . 54.1 Cg_endo . . . . . 0 C--N 1.342 0.204 0 C-N-CA 122.68 2.253 . . . . 0.0 112.393 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.566 ' CZ2' ' HD2' ' A' ' 42' ' ' LYS . 62.4 m95 . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.773 0.32 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 38.5 mtp85 -121.66 161.38 22.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.867 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -40.83 -39.64 1.17 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 26.1 p -66.51 -57.43 7.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.424 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 32.0 mt-10 -48.92 -43.21 39.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.72 -47.07 82.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -57.84 -49.38 76.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.902 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.9 mt -60.22 -56.14 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.101 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.502 HD12 HG21 ' A' ' 35' ' ' ILE . 18.1 tp -55.12 -58.3 8.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.826 ' HE2' HD22 ' A' ' 55' ' ' LEU . 49.0 mttt -42.47 -59.21 1.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.82 -61.13 2.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.095 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.07 -51.08 14.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.094 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.645 HG13 ' HG3' ' A' ' 29' ' ' LYS . 55.1 t -51.96 -26.24 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.6 mmt -84.68 -28.62 26.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.413 ' HD3' ' CE1' ' A' ' 27' ' ' TYR . 19.2 tttp -88.24 -60.85 1.85 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.413 ' CE1' ' HD3' ' A' ' 26' ' ' LYS . 32.1 m-85 -74.97 -30.8 61.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.66 177.87 32.41 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.472 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.645 ' HG3' HG13 ' A' ' 24' ' ' VAL . 0.8 OUTLIER -91.23 35.99 0.93 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.783 0.325 . . . . 0.0 110.891 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 -124.82 -32.04 3.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -91.41 38.62 0.98 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.608 ' CZ3' HG22 ' A' ' 24' ' ' VAL . 45.3 m95 -52.04 -36.01 48.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.946 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.523 ' HA ' ' HB2' ' A' ' 44' ' ' ALA . 44.8 m -62.96 -43.95 97.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 -179.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 53.3 ttt180 -71.54 -52.11 19.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.502 HG21 HD12 ' A' ' 20' ' ' LEU . 71.7 mt -44.46 -49.13 2.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.119 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -45.89 -42.04 12.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.14 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.0 t -47.46 -40.41 18.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.7 mt -54.36 -47.15 72.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.425 HD11 ' HB2' ' A' ' 20' ' ' LEU . 5.1 mt -93.26 162.12 14.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.951 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.46 ' O ' ' N ' ' A' ' 42' ' ' LYS . 0.7 OUTLIER -104.74 172.75 6.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 179.887 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 24.5 mtt180 40.08 25.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.566 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 31.0 mmtt -122.98 158.78 29.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 44' ' ' ALA . 60.6 p -139.25 149.16 43.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.905 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.523 ' HB2' ' HA ' ' A' ' 33' ' ' SER . . . -35.57 -44.54 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.44 -59.3 3.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 20.7 mm-40 -55.4 -57.89 10.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 87.4 m -45.49 -37.72 5.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 51.9 tttt -76.08 -41.65 49.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.67 -65.22 0.89 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.086 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.516 ' HG2' ' CE2' ' A' ' 12' ' ' TRP . 7.2 tpt180 -42.26 -39.29 2.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.548 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 14.1 t-105 -68.62 -71.86 0.2 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.43 ' CD1' ' CD1' ' A' ' 51' ' ' TRP . 15.4 m-85 -56.42 -13.61 2.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.93 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -74.1 -54.64 7.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 4.6 m95 -127.08 -31.17 2.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.826 HD22 ' HE2' ' A' ' 21' ' ' LYS . 1.1 mt -93.39 91.37 7.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -171.44 143.14 1.48 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.571 0.7 . . . . 0.0 110.868 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.157 0 C-N-CA 122.646 2.231 . . . . 0.0 112.352 -179.951 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.617 ' CH2' HD13 ' A' ' 39' ' ' LEU . 45.2 m95 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.797 0.332 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 14' ' ' ASN . 19.7 mtp180 -124.64 149.83 46.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.823 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.45 ' ND2' HG23 ' A' ' 15' ' ' THR . 2.0 p-10 -34.71 -56.65 0.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.45 HG23 ' ND2' ' A' ' 14' ' ' ASN . 22.4 p -54.56 -65.18 0.62 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.144 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.44 ' HA ' HD12 ' A' ' 19' ' ' ILE . 39.8 mt-10 -39.35 -41.5 0.93 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.24 -45.3 85.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.835 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -57.82 -40.86 80.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.44 HD12 ' HA ' ' A' ' 16' ' ' GLU . 17.9 mt -65.39 -50.19 74.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.15 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.773 HD23 HD12 ' A' ' 55' ' ' LEU . 36.5 tp -54.66 -65.32 0.6 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.492 ' HZ2' HD22 ' A' ' 55' ' ' LEU . 9.6 mtmm -39.81 -58.61 1.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.1 -61.65 2.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.136 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.91 -54.92 4.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.069 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 20' ' ' LEU . 67.8 t -50.89 -33.11 12.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.143 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 8.6 mmt -78.11 -26.55 48.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -88.93 -65.05 1.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.668 ' HE2' HD11 ' A' ' 38' ' ' LEU . 5.5 m-85 -69.45 -35.03 75.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 103.67 -175.14 23.21 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.475 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.6 mttm -91.7 37.58 0.97 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.837 0.351 . . . . 0.0 110.892 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -128.78 -37.87 1.72 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -85.25 42.38 0.94 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 52.5 m95 -57.65 -37.53 73.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.936 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.458 ' HA ' ' HB2' ' A' ' 44' ' ' ALA . 54.5 p -63.01 -50.78 69.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -60.66 -47.54 85.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.579 HG21 HD12 ' A' ' 20' ' ' LEU . 77.4 mt -47.84 -50.23 9.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.107 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.751 ' HB1' ' O ' ' A' ' 42' ' ' LYS . . . -49.16 -35.25 16.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.5 t -56.15 -37.81 70.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.668 HD11 ' HE2' ' A' ' 27' ' ' TYR . 21.3 mt -60.2 -46.83 88.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.947 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.617 HD13 ' CH2' ' A' ' 12' ' ' TRP . 3.8 mt -83.68 157.95 22.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.501 ' CE1' ' HE ' ' A' ' 41' ' ' ARG . 16.8 t-160 -100.75 132.99 45.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.834 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.501 ' HE ' ' CE1' ' A' ' 40' ' ' HIS . 39.2 mtt180 66.52 34.24 6.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.751 ' O ' ' HB1' ' A' ' 36' ' ' ALA . 39.4 mmtt -139.08 123.16 17.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.3 t -104.32 174.11 6.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.458 ' HB2' ' HA ' ' A' ' 33' ' ' SER . . . -48.08 -52.13 21.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.086 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.5 mmmt -47.06 -59.09 3.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.542 ' NE2' ' NZ ' ' A' ' 42' ' ' LYS . 73.5 mt-30 -55.91 -49.83 72.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 65.2 m -53.56 -42.41 67.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.89 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.0 tttm -72.64 -39.4 67.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.51 -63.81 1.01 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.107 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.516 ' HG2' ' CE2' ' A' ' 12' ' ' TRP . 5.3 tpt180 -51.16 -38.3 51.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.551 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 20.2 t-105 -67.34 -69.17 0.33 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -57.32 -21.64 36.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.925 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -64.65 -54.57 29.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 4.3 m95 -127.84 -41.49 1.65 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.773 HD12 HD23 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -80.38 88.85 5.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.958 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -174.96 139.22 0.62 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.657 0.741 . . . . 0.0 110.835 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.342 0.186 0 C-N-CA 122.667 2.244 . . . . 0.0 112.339 -179.963 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.572 ' CZ2' ' HD2' ' A' ' 42' ' ' LYS . 17.1 m95 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.766 0.317 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 36.1 mtm-85 -118.49 160.03 22.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.878 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 26.7 p-10 -46.69 -51.55 15.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.6 p -57.13 -58.15 9.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.491 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 6.9 mm-40 -45.31 -39.47 6.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -67.28 -46.5 73.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -54.69 -46.72 74.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.546 ' HB ' HD21 ' A' ' 39' ' ' LEU . 20.2 mt -62.32 -46.14 97.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.615 HD23 HD12 ' A' ' 55' ' ' LEU . 37.1 tp -60.43 -58.01 10.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.547 ' HG3' HD13 ' A' ' 55' ' ' LEU . 24.8 mtmt -45.0 -52.99 8.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.22 -60.67 3.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.075 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -44.41 -46.87 9.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.104 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 20' ' ' LEU . 80.8 t -55.37 -32.38 29.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.151 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 11.9 mmt -78.98 -33.87 44.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.3 tttt -81.03 -63.92 1.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.418 ' CE1' HD11 ' A' ' 38' ' ' LEU . 74.4 m-85 -71.26 -33.18 69.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 105.83 174.6 23.78 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.521 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.1 mttt -88.83 30.68 0.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.766 0.317 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 -126.39 -28.86 3.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -89.66 40.32 0.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.413 ' CZ3' HG22 ' A' ' 24' ' ' VAL . 51.2 m95 -52.76 -37.2 59.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.446 ' HA ' ' HB2' ' A' ' 44' ' ' ALA . 2.6 m -63.22 -50.33 70.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.847 -179.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.7 ttt85 -63.07 -46.22 88.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.545 HG21 HD12 ' A' ' 20' ' ' LEU . 89.4 mt -51.02 -44.59 28.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.16 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.62 -41.13 41.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.079 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 30.9 t -52.11 -39.97 60.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.418 HD11 ' CE1' ' A' ' 27' ' ' TYR . 32.6 mt -58.86 -44.79 91.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.546 HD21 ' HB ' ' A' ' 19' ' ' ILE . 8.5 mt -87.04 133.99 33.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 13.8 t-160 -82.12 133.5 35.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.9 mmm180 68.66 41.06 1.71 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.572 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 21.4 mmtt -141.24 148.27 39.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.964 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 45.0 t -127.03 160.71 30.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.794 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.446 ' HB2' ' HA ' ' A' ' 33' ' ' SER . . . -42.96 -43.58 4.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.132 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.419 ' HD3' ' C ' ' A' ' 45' ' ' LYS . 11.2 tmtt? -51.56 -58.62 5.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.926 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 17.2 mp0 -58.14 -46.26 85.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 84.0 m -55.85 -44.65 78.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.2 tttt -69.47 -49.45 54.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.62 -65.24 0.71 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.044 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.509 ' HG2' ' CD2' ' A' ' 12' ' ' TRP . 10.4 tpt180 -40.23 -43.61 1.72 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.543 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 28.3 t-105 -63.73 -70.9 0.19 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -56.21 -15.1 3.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -72.33 -55.56 6.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.438 ' CD1' ' NH1' ' A' ' 50' ' ' ARG . 5.4 m95 -127.8 -38.98 1.83 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.615 HD12 HD23 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -85.08 90.6 7.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -166.79 142.41 3.63 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.634 0.731 . . . . 0.0 110.828 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.342 0.23 0 C-N-CA 122.645 2.23 . . . . 0.0 112.344 -179.984 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.572 ' CZ2' ' HD2' ' A' ' 42' ' ' LYS . 32.9 m95 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.756 0.313 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.7 mtt85 -113.31 163.22 15.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -50.07 -46.77 53.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.0 p -60.38 -50.29 74.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.154 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.523 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 7.1 mm-40 -52.51 -40.91 62.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.66 -41.6 83.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -59.88 -45.77 91.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 31.7 mt -64.24 -49.04 82.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.09 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.511 HD12 HG21 ' A' ' 35' ' ' ILE . 31.3 tp -59.36 -59.49 5.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.59 ' HG3' HD13 ' A' ' 55' ' ' LEU . 18.6 mtpp -41.69 -55.57 2.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.81 -59.35 5.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.12 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -44.82 -53.66 7.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.07 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.45 HG22 ' CZ3' ' A' ' 32' ' ' TRP . 73.8 t -49.74 -29.56 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.096 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 7.6 mmt -81.49 -35.76 30.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.507 ' HD3' ' CE1' ' A' ' 27' ' ' TYR . 24.5 tttt -78.75 -61.3 2.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.507 ' CE1' ' HD3' ' A' ' 26' ' ' LYS . 56.6 m-85 -73.56 -29.81 62.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.912 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 101.28 175.66 28.83 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.524 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.1 mtpt -89.59 36.05 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.794 0.33 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -127.62 -33.77 2.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -86.58 39.49 0.84 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.45 ' CZ3' HG22 ' A' ' 24' ' ' VAL . 56.4 m95 -52.67 -37.18 58.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.457 ' HA ' ' HB2' ' A' ' 44' ' ' ALA . 85.1 p -63.24 -48.38 78.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.835 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.9 ttt-85 -66.67 -48.26 69.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.511 HG21 HD12 ' A' ' 20' ' ' LEU . 83.0 mt -48.25 -44.12 12.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.19 -43.83 67.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.4 t -48.85 -41.36 32.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 20.6 mt -54.54 -50.39 68.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.435 HD13 ' CH2' ' A' ' 12' ' ' TRP . 3.3 mt -82.03 137.04 35.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.518 ' CE1' ' NH1' ' A' ' 41' ' ' ARG . 17.4 t-160 -81.22 134.95 35.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.518 ' NH1' ' CE1' ' A' ' 40' ' ' HIS . 27.3 mtm-85 65.8 42.7 3.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.572 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 20.9 mmtp -141.32 146.64 36.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 58.2 m -126.08 165.75 18.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.83 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.457 ' HB2' ' HA ' ' A' ' 33' ' ' SER . . . -49.51 -43.99 45.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.09 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -50.76 -58.01 6.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.868 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -60.07 -47.38 86.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.913 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 68.9 m -54.16 -39.75 66.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.0 tttm -75.15 -47.92 26.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.5 -63.88 0.99 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.137 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.442 ' NH2' ' HB3' ' A' ' 12' ' ' TRP . 5.5 tpt180 -42.15 -42.38 2.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.865 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.511 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 8.3 t-105 -66.86 -70.74 0.23 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.476 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 46.8 m-85 -54.62 -16.19 2.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.947 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -72.82 -54.76 7.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.847 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 5.3 m95 -125.7 -37.1 2.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.59 HD13 ' HG3' ' A' ' 21' ' ' LYS . 1.0 OUTLIER -86.93 86.26 7.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -164.13 136.29 3.77 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.6 0.714 . . . . 0.0 110.853 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.146 0 C-N-CA 122.738 2.292 . . . . 0.0 112.311 -179.984 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.681 ' CH2' HD22 ' A' ' 20' ' ' LEU . 9.2 m95 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.745 0.307 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.3 mtm180 -94.33 149.28 21.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.863 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -44.6 -47.13 10.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 25.7 p -56.42 -56.51 20.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -53.15 -42.29 65.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.846 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -64.46 -44.55 90.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -59.27 -46.43 88.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 35.1 mt -65.25 -44.33 95.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.097 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.681 HD22 ' CH2' ' A' ' 12' ' ' TRP . 43.1 tp -59.87 -62.39 1.91 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.521 ' HG3' HD13 ' A' ' 55' ' ' LEU . 22.5 mtmt -41.43 -52.58 3.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.98 -63.97 1.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.127 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.489 ' HB1' HG12 ' A' ' 35' ' ' ILE . . . -43.86 -47.91 8.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.555 HG22 ' CZ3' ' A' ' 32' ' ' TRP . 53.3 t -55.06 -31.76 26.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 21.8 mmt -80.23 -33.35 38.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.6 tttp -77.96 -62.51 1.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -75.84 -34.29 60.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.42 173.07 20.18 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.491 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.446 ' HG3' ' CG1' ' A' ' 24' ' ' VAL . 3.4 mtmp? -85.31 28.68 0.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.816 0.341 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -126.49 -28.05 3.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.448 ' NE2' ' HE ' ' A' ' 34' ' ' ARG . 7.0 mm100 -87.13 37.32 0.76 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.598 ' CD1' ' HE3' ' A' ' 48' ' ' LYS . 57.1 m95 -50.06 -63.59 1.07 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.4 t -40.9 -41.51 1.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.86 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.448 ' HE ' ' NE2' ' A' ' 31' ' ' GLN . 14.5 ttm-85 -68.64 -42.01 78.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.579 HG21 HD12 ' A' ' 20' ' ' LEU . 71.9 mt -64.97 -52.27 55.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -40.38 -43.44 1.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.104 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 30.0 t -51.14 -40.83 59.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.428 HD12 HG23 ' A' ' 35' ' ' ILE . 16.3 mt -55.23 -47.41 75.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.7 mt -87.37 152.14 22.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.486 ' CE1' ' HG3' ' A' ' 41' ' ' ARG . 10.0 t-160 -92.93 140.95 28.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.486 ' HG3' ' CE1' ' A' ' 40' ' ' HIS . 24.5 mtm180 62.24 41.37 10.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.409 ' HE3' ' NE1' ' A' ' 12' ' ' TRP . 44.8 mmtm -140.91 141.09 34.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 44' ' ' ALA . 40.8 t -124.53 155.65 38.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.83 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 43' ' ' SER . . . -36.01 -51.72 0.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.141 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.407 ' C ' ' HD2' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -46.11 -56.55 5.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -53.82 -56.94 13.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 67.0 m -46.43 -46.2 18.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.598 ' HE3' ' CD1' ' A' ' 32' ' ' TRP . 7.8 ttmt -64.82 -53.61 44.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.07 -65.28 0.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.086 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.431 ' HG2' ' CE2' ' A' ' 12' ' ' TRP . 10.1 tpt180 -44.1 -38.2 3.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.858 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.542 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 40.6 t-105 -65.99 -67.79 0.42 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -59.19 -16.45 20.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.966 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -70.21 -56.71 6.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.844 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.402 ' CD1' ' NH1' ' A' ' 50' ' ' ARG . 5.7 m95 -128.04 -40.71 1.66 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.542 ' O ' ' CD2' ' A' ' 51' ' ' TRP . 0.8 OUTLIER -84.41 85.24 7.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.953 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.454 ' OD1' ' N ' ' A' ' 57' ' ' PRO . 1.2 t0 -165.78 133.17 2.25 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.622 0.725 . . . . 0.0 110.837 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.454 ' N ' ' OD1' ' A' ' 56' ' ' ASP . 53.5 Cg_endo . . . . . 0 C--N 1.342 0.219 0 C-N-CA 122.646 2.231 . . . . 0.0 112.318 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.501 ' CD2' ' HG2' ' A' ' 50' ' ' ARG . 57.0 m95 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.787 0.327 . . . . 0.0 110.914 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 14' ' ' ASN . 15.4 mmm180 -112.48 154.56 25.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 13' ' ' ARG . 10.6 p-10 -36.21 -55.93 0.77 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 36.2 p -55.83 -63.84 1.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.144 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.441 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 7.1 mm-40 -39.21 -43.64 1.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.849 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.18 -46.2 78.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -56.28 -49.99 72.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.455 ' HB ' HD21 ' A' ' 39' ' ' LEU . 22.6 mt -56.83 -57.17 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.139 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.491 ' O ' HG23 ' A' ' 24' ' ' VAL . 13.4 tp -51.05 -58.62 5.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.598 ' HE2' HD22 ' A' ' 55' ' ' LEU . 12.8 mttm -39.98 -59.83 1.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 25' ' ' MET . . . -56.12 -61.4 2.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.059 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -38.96 -56.02 1.46 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.075 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 20' ' ' LEU . 61.9 t -50.95 -34.99 14.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.099 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.417 ' N ' ' O ' ' A' ' 22' ' ' ALA . 6.4 mmt -76.83 -29.65 56.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 48.5 tttt -85.33 -65.09 1.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -69.05 -32.92 72.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.55 170.67 26.75 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.528 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -82.64 40.26 0.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.836 0.35 . . . . 0.0 110.924 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -132.07 -37.09 1.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.948 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -85.3 39.1 0.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.425 ' CZ3' HG22 ' A' ' 24' ' ' VAL . 52.7 m95 -52.14 -40.92 62.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.889 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.1 t -64.26 -44.08 92.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.5 ttt85 -67.61 -38.21 83.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.849 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.432 HG21 HD12 ' A' ' 20' ' ' LEU . 85.7 mt -60.72 -44.85 98.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.161 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.408 ' HB1' ' O ' ' A' ' 42' ' ' LYS . . . -50.52 -45.15 56.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.147 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.9 m -47.87 -41.21 23.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.0 mt -55.55 -45.78 77.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.455 HD21 ' HB ' ' A' ' 19' ' ' ILE . 5.9 mt -87.61 153.03 21.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.534 ' CE1' ' HG3' ' A' ' 41' ' ' ARG . 9.7 t-160 -96.65 139.14 33.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.534 ' HG3' ' CE1' ' A' ' 40' ' ' HIS . 31.4 mtm180 63.21 33.29 14.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.408 ' O ' ' HB1' ' A' ' 36' ' ' ALA . 29.0 mmtp -137.03 132.72 34.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.5 t -116.73 165.15 13.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -41.19 -42.91 2.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.086 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -57.24 -46.78 82.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -64.75 -54.52 30.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 90.0 m -54.95 -43.58 73.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.2 tttt -68.71 -39.31 80.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.83 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.11 -65.27 0.75 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.098 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.501 ' HG2' ' CD2' ' A' ' 12' ' ' TRP . 7.2 tpt180 -46.13 -34.75 4.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.548 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 41.2 t-105 -69.55 -73.15 0.16 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -54.11 -20.74 7.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.938 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -64.97 -61.71 2.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.864 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 4.2 m95 -122.67 -39.58 2.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.598 HD22 ' HE2' ' A' ' 21' ' ' LYS . 1.1 mt -85.06 89.75 7.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.94 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.413 ' CG ' ' HD2' ' A' ' 57' ' ' PRO . 16.0 t70 -171.09 140.42 1.3 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.581 0.705 . . . . 0.0 110.88 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.413 ' HD2' ' CG ' ' A' ' 56' ' ' ASP . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.153 0 C-N-CA 122.695 2.263 . . . . 0.0 112.364 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.515 ' CD2' ' HG2' ' A' ' 50' ' ' ARG . 10.7 m95 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.733 0.301 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -128.71 149.17 50.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.868 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.4 p-10 -43.67 -43.7 5.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.9 p -63.06 -41.37 99.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.2 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.504 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 40.5 mt-10 -63.11 -33.16 74.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.479 ' HB3' ' CE ' ' A' ' 21' ' ' LYS . 0.7 OUTLIER -73.4 -45.45 54.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.813 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -53.78 -44.31 69.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.44 ' HB ' HD21 ' A' ' 39' ' ' LEU . 20.9 mt -67.53 -47.25 81.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.638 HD23 HD12 ' A' ' 55' ' ' LEU . 40.1 tp -58.35 -66.75 0.44 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.554 ' HG3' HD13 ' A' ' 55' ' ' LEU . 28.1 mtmt -37.18 -61.61 0.56 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.3 -63.72 1.03 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.098 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -42.45 -57.53 2.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.462 HG22 ' CZ3' ' A' ' 32' ' ' TRP . 98.9 t -50.69 -30.94 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.139 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.5 mmt -80.61 -27.05 37.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.9 tttm -87.15 -61.84 1.63 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.915 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.616 ' HE2' HD11 ' A' ' 38' ' ' LEU . 4.3 m-85 -73.74 -31.81 63.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.33 176.14 27.51 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.499 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 40.8 mttt -84.26 39.81 0.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.8 0.333 . . . . 0.0 110.926 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 -133.15 -36.69 1.0 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . 0.413 ' NE2' ' HB3' ' A' ' 27' ' ' TYR . 21.5 mt-30 -84.15 40.14 0.75 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.602 ' HA ' HD12 ' A' ' 35' ' ' ILE . 53.9 m95 -53.42 -64.09 0.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.523 ' HA ' ' HB2' ' A' ' 44' ' ' ALA . 2.1 t -40.35 -45.86 2.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.3 ttm-85 -64.46 -50.4 67.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.602 HD12 ' HA ' ' A' ' 32' ' ' TRP . 44.5 mt -50.01 -44.51 21.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.085 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.91 -35.21 44.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.159 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.8 t -56.2 -39.25 72.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.812 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.616 HD11 ' HE2' ' A' ' 27' ' ' TYR . 26.5 mt -58.28 -45.18 88.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.967 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.484 HD13 ' CH2' ' A' ' 12' ' ' TRP . 9.3 mt -87.96 139.93 30.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.959 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -83.28 137.61 33.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? 63.99 41.78 6.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.508 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 35.0 mmtm -138.91 137.78 36.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 44' ' ' ALA . 23.0 t -120.0 155.8 32.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.523 ' HB2' ' HA ' ' A' ' 33' ' ' SER . . . -36.46 -53.19 0.86 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.127 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 35.2 tptt -46.02 -50.12 15.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -60.21 -58.19 9.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 90.1 m -46.33 -42.77 15.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.7 tttp -69.01 -45.34 70.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.61 -65.35 0.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.106 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.515 ' HG2' ' CD2' ' A' ' 12' ' ' TRP . 7.0 tpt180 -48.0 -35.28 10.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.553 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 29.9 t-105 -70.24 -70.41 0.3 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -58.41 -14.36 7.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.942 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -70.95 -58.67 3.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.932 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 4.7 m95 -123.81 -41.26 2.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.638 HD12 HD23 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -84.5 88.05 7.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.942 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.425 ' CG ' ' HD2' ' A' ' 57' ' ' PRO . 12.2 t70 -174.96 139.79 0.63 Allowed Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.63 0.728 . . . . 0.0 110.882 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.425 ' HD2' ' CG ' ' A' ' 56' ' ' ASP . 53.8 Cg_endo . . . . . 0 C--N 1.342 0.225 0 C-N-CA 122.661 2.241 . . . . 0.0 112.386 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 19.0 m95 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.784 0.326 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 21.2 mtm180 -107.61 152.15 24.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -38.35 -55.32 1.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.6 p -51.11 -67.11 0.28 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.139 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -39.19 -40.36 0.72 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -69.76 -44.88 69.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.86 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -58.51 -47.36 84.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.488 ' HB ' HD21 ' A' ' 39' ' ' LEU . 18.6 mt -61.08 -47.69 92.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.139 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.613 ' O ' HG23 ' A' ' 24' ' ' VAL . 26.2 tp -59.26 -63.91 1.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.922 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.489 ' CG ' HD13 ' A' ' 55' ' ' LEU . 44.1 mtmt -41.46 -52.24 3.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.49 -60.35 3.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.08 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -42.66 -53.77 4.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.079 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 20' ' ' LEU . 50.0 t -49.85 -31.1 6.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.142 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 8.4 mmt -80.97 -27.63 35.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.1 tttp -90.1 -63.8 1.23 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -71.32 -31.31 67.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 101.24 170.79 28.31 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.485 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.3 mttp -84.68 17.02 2.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.783 0.325 . . . . 0.0 110.867 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -116.4 -8.88 11.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -108.33 34.29 3.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.448 ' CZ3' HG22 ' A' ' 24' ' ' VAL . 56.0 m95 -50.07 -50.48 47.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.7 t -50.83 -35.86 34.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.821 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 24.6 ttt85 -79.08 -43.49 24.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.57 HG21 HD12 ' A' ' 20' ' ' LEU . 50.5 mt -56.96 -43.88 81.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.189 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.512 ' HB1' ' HA ' ' A' ' 43' ' ' SER . . . -53.31 -41.56 65.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.085 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.7 t -54.81 -38.64 67.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 17.2 mt -58.28 -42.18 86.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.488 HD21 ' HB ' ' A' ' 19' ' ' ILE . 6.8 mt -88.1 148.35 24.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.457 ' CE1' HH11 ' A' ' 41' ' ' ARG . 12.0 t-160 -89.01 131.85 35.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.457 HH11 ' CE1' ' A' ' 40' ' ' HIS . 66.9 mtm-85 66.47 42.94 2.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -141.67 154.57 45.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.512 ' HA ' ' HB1' ' A' ' 36' ' ' ALA . 42.7 m -140.7 158.81 43.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -38.67 -43.37 0.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.117 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.2 -56.57 17.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 11.8 mm100 -60.61 -49.76 76.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 92.4 m -52.59 -43.58 65.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.2 tttm -69.47 -41.03 76.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.3 -65.13 0.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -45.95 -38.72 7.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.831 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.544 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 36.9 t-105 -64.41 -68.56 0.34 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -57.91 -20.73 39.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.943 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -65.05 -57.37 8.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 7.6 m95 -127.31 -42.66 1.67 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.911 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.562 HD12 HD23 ' A' ' 20' ' ' LEU . 0.7 OUTLIER -81.67 84.99 6.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -167.51 132.54 1.6 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.573 0.701 . . . . 0.0 110.888 179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--O 1.231 0.135 0 C-N-CA 122.698 2.265 . . . . 0.0 112.345 -179.977 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.585 ' CE3' ' HB3' ' A' ' 16' ' ' GLU . 21.7 m95 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.754 0.311 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 41.0 mtp180 -111.12 163.81 13.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.4 ' ND2' HG23 ' A' ' 15' ' ' THR . 0.9 OUTLIER -47.56 -44.84 26.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.4 HG23 ' ND2' ' A' ' 14' ' ' ASN . 21.0 p -61.96 -60.44 3.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.141 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.585 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 6.5 mm-40 -43.49 -45.06 6.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.829 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -65.11 -42.37 94.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -58.73 -51.33 70.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.464 ' HB ' HD21 ' A' ' 39' ' ' LEU . 19.9 mt -58.35 -50.61 77.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.134 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.776 HD12 HG21 ' A' ' 35' ' ' ILE . 18.8 tp -58.74 -60.34 3.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.532 ' HG3' HD13 ' A' ' 55' ' ' LEU . 17.3 mtpp -40.62 -59.73 1.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.918 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 25' ' ' MET . . . -52.75 -62.91 1.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.061 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.581 ' HB1' HG12 ' A' ' 35' ' ' ILE . . . -39.11 -55.19 1.66 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.115 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.5 HG22 ' CZ3' ' A' ' 32' ' ' TRP . 92.4 t -51.56 -36.86 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.417 ' N ' ' O ' ' A' ' 22' ' ' ALA . 29.8 mmt -73.08 -31.97 64.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.571 ' HD3' ' CE1' ' A' ' 27' ' ' TYR . 43.5 tttm -82.26 -66.03 0.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.571 ' CE1' ' HD3' ' A' ' 26' ' ' LYS . 4.8 m-85 -69.42 -31.89 70.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.937 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.415 ' CA ' ' O ' ' A' ' 24' ' ' VAL . . . 105.34 175.32 24.23 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.482 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.0 mttt -84.89 36.36 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.812 0.339 . . . . 0.0 110.883 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -130.97 -32.26 1.64 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -86.26 39.93 0.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.5 ' CZ3' HG22 ' A' ' 24' ' ' VAL . 58.3 m95 -54.97 -41.43 71.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 34.8 p -57.92 -51.15 70.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.3 ttt85 -60.52 -51.89 67.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.776 HG21 HD12 ' A' ' 20' ' ' LEU . 78.1 mt -45.37 -47.45 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.147 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.31 -36.08 30.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.103 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.6 t -54.37 -41.46 69.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.507 HD11 ' HE2' ' A' ' 27' ' ' TYR . 24.5 mt -57.12 -49.13 76.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.932 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.53 HD22 ' CD ' ' A' ' 16' ' ' GLU . 7.6 mt -86.22 137.94 32.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.551 ' CD2' ' HG3' ' A' ' 41' ' ' ARG . 1.2 p-80 -84.88 142.22 29.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.551 ' HG3' ' CD2' ' A' ' 40' ' ' HIS . 39.2 mtt180 64.52 37.07 8.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.53 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 22.9 mmtm -134.84 154.08 51.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.8 m -138.08 159.41 42.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.859 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -40.94 -43.27 2.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.116 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.59 -56.33 22.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -59.55 -46.56 88.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 63.8 m -57.32 -47.77 80.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.9 tttt -66.09 -44.79 83.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.945 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.7 -63.01 1.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.102 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.504 ' HG2' ' CD2' ' A' ' 12' ' ' TRP . 10.1 tpt180 -47.81 -40.72 21.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.508 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 38.8 t-105 -64.36 -71.84 0.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -56.19 -19.26 12.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -66.34 -56.69 9.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 4.2 m95 -127.96 -41.07 1.65 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.532 HD13 ' HG3' ' A' ' 21' ' ' LYS . 1.4 mt -81.39 91.5 6.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.908 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -173.92 140.91 0.82 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.594 0.712 . . . . 0.0 110.86 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo . . . . . 0 N--CA 1.465 -0.152 0 C-N-CA 122.708 2.272 . . . . 0.0 112.367 -179.973 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.549 ' CZ2' ' HD2' ' A' ' 42' ' ' LYS . 28.6 m95 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.78 0.324 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.2 mtp180 -119.62 157.43 28.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -43.49 -47.06 7.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.1 p -63.07 -59.85 4.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.442 ' OE1' HD22 ' A' ' 39' ' ' LEU . 7.3 mm-40 -44.25 -44.33 7.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.89 -48.53 68.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -51.47 -47.57 63.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.0 mt -62.12 -48.28 89.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.108 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.846 ' O ' HG23 ' A' ' 24' ' ' VAL . 32.9 tp -58.12 -57.15 14.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.586 ' HG3' HD13 ' A' ' 55' ' ' LEU . 17.8 mtmt -44.65 -67.02 0.32 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -48.11 -60.69 2.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.133 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.23 -50.66 6.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.078 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.846 HG23 ' O ' ' A' ' 20' ' ' LEU . 47.9 t -55.29 -30.19 24.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.114 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 1.5 mtp -79.18 -36.98 39.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.562 ' HD3' ' CE1' ' A' ' 27' ' ' TYR . 36.1 tttp -75.07 -58.35 3.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.562 ' CE1' ' HD3' ' A' ' 26' ' ' LYS . 5.9 m-85 -80.94 -20.33 42.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.883 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.496 ' CA ' ' O ' ' A' ' 24' ' ' VAL . . . 96.83 -174.47 30.38 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt -96.33 25.14 5.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.809 0.338 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -112.32 -37.28 5.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -84.51 51.04 2.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 56.6 m95 -62.92 -43.54 98.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.59 ' HA ' ' HB2' ' A' ' 44' ' ' ALA . 37.9 p -57.53 -50.8 71.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.817 -179.749 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.0 ttt180 -60.67 -49.82 75.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.714 HG21 HD12 ' A' ' 20' ' ' LEU . 78.6 mt -48.9 -42.99 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.079 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.73 -41.7 74.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.07 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.7 t -49.96 -42.14 48.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.467 HD11 ' HE2' ' A' ' 27' ' ' TYR . 10.3 mt -54.1 -49.36 69.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.933 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.496 HD13 ' CZ3' ' A' ' 12' ' ' TRP . 7.0 mt -84.21 130.93 34.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.525 ' CE1' ' HG2' ' A' ' 41' ' ' ARG . 42.2 t60 -74.67 136.39 41.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.525 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 1.7 mmp_? 66.31 40.65 3.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.828 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.549 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 42.9 mmtm -135.24 145.85 48.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 44' ' ' ALA . 72.5 p -129.52 148.88 51.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.903 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.59 ' HB2' ' HA ' ' A' ' 33' ' ' SER . . . -34.95 -46.51 0.31 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.091 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -49.54 -58.27 5.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -59.49 -44.03 93.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.889 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 62.4 m -57.19 -42.36 81.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -71.97 -43.44 65.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.53 -63.99 0.95 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.424 ' CZ ' ' HB2' ' A' ' 12' ' ' TRP . 10.5 tpt180 -44.58 -41.36 6.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.462 ' NE1' ' OD1' ' A' ' 56' ' ' ASP . 21.5 t-105 -66.07 -72.93 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.953 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -55.18 -16.18 2.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.914 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -71.13 -54.05 12.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 4.6 m95 -128.03 -41.43 1.62 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.923 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.586 HD13 ' HG3' ' A' ' 21' ' ' LYS . 1.2 mt -82.64 94.03 7.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.952 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.462 ' OD1' ' NE1' ' A' ' 51' ' ' TRP . 5.4 t70 -174.84 140.81 0.68 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.539 0.685 . . . . 0.0 110.888 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.424 ' HD2' ' CG ' ' A' ' 56' ' ' ASP . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.135 0 C-N-CA 122.699 2.266 . . . . 0.0 112.329 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.502 -0.239 . . . . 0.0 112.502 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.7 p -128.38 164.03 23.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.842 0.354 . . . . 0.0 110.883 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.8 t -54.31 139.78 35.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.834 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.47 -166.75 32.84 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.494 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 63.7 p -128.92 -54.54 1.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.893 0.378 . . . . 0.0 110.867 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.7 p -68.76 152.16 45.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.882 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 164.99 178.62 38.43 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.494 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -78.42 101.97 7.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.819 0.343 . . . . 0.0 110.903 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.433 ' O ' ' C ' ' A' ' 10' ' ' GLY . . . 53.53 54.29 30.97 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.452 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 9' ' ' GLY . . . -34.38 147.17 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.487 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.416 ' O ' ' CD1' ' A' ' 12' ' ' TRP . 35.5 m -58.87 176.37 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.818 0.342 . . . . 0.0 111.165 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.577 ' CH2' HD22 ' A' ' 20' ' ' LEU . 21.0 m95 -152.48 137.85 17.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.433 ' O ' ' C ' ' A' ' 14' ' ' ASN . 38.6 mmm-85 -109.36 147.64 32.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.859 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.433 ' C ' ' O ' ' A' ' 13' ' ' ARG . 16.5 p-10 -34.73 -53.41 0.54 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.883 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.2 p -50.68 -61.19 2.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.123 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.431 ' HA ' ' CD2' ' A' ' 39' ' ' LEU . 56.9 mt-10 -47.41 -45.31 25.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.942 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.21 -45.76 90.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.859 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -55.82 -49.44 73.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.1 mt -64.54 -46.63 92.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.577 HD22 ' CH2' ' A' ' 12' ' ' TRP . 37.8 tp -59.69 -61.49 2.58 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.901 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.567 ' HG3' HD13 ' A' ' 55' ' ' LEU . 6.5 mtpm? -43.53 -47.52 7.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.926 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.448 ' O ' ' N ' ' A' ' 25' ' ' MET . . . -64.36 -66.37 0.55 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.109 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -39.05 -55.67 1.55 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.089 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.473 ' CG2' ' CZ3' ' A' ' 32' ' ' TRP . 80.0 t -52.5 -33.95 18.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.152 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.448 ' N ' ' O ' ' A' ' 22' ' ' ALA . 12.6 mmt -76.34 -31.27 58.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.908 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 58.0 tttp -82.44 -63.61 1.34 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.455 ' HE2' HD11 ' A' ' 38' ' ' LEU . 5.1 m-85 -72.9 -30.17 63.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.851 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.406 ' CA ' ' O ' ' A' ' 24' ' ' VAL . . . 104.06 174.49 25.45 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.49 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.433 ' HE3' ' CZ2' ' A' ' 51' ' ' TRP . 11.7 mttp -85.74 43.22 1.02 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.786 0.327 . . . . 0.0 110.877 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -131.29 -39.29 1.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.87 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -82.91 38.11 0.57 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.93 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.473 ' CZ3' ' CG2' ' A' ' 24' ' ' VAL . 56.9 m95 -52.04 -38.02 55.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.966 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 61.9 p -62.53 -51.79 66.01 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -60.12 -42.86 95.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.856 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.401 HD13 HG22 ' A' ' 24' ' ' VAL . 70.3 mt -57.92 -43.91 85.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.15 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.69 -41.14 42.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.08 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.9 m -54.82 -38.83 67.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.455 HD11 ' HE2' ' A' ' 27' ' ' TYR . 23.6 mt -55.47 -46.61 76.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.858 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.504 HD13 ' CH2' ' A' ' 12' ' ' TRP . 6.3 mt -90.65 139.43 30.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.918 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.548 ' CD2' ' HG3' ' A' ' 41' ' ' ARG . 2.8 p-80 -82.12 133.1 35.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.548 ' HG3' ' CD2' ' A' ' 40' ' ' HIS . 8.9 mtt-85 71.26 35.27 1.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.839 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 33.9 mmtm -131.53 154.5 48.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 37.4 p -141.55 163.19 33.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.852 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -43.92 -42.78 6.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.064 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.14 -48.35 80.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -66.14 -54.62 23.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.938 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 88.4 m -52.36 -43.78 64.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 34.8 tttm -70.19 -42.27 72.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.902 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.22 -65.23 0.7 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.114 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.509 ' HG2' ' CE2' ' A' ' 12' ' ' TRP . 5.9 tpt180 -45.04 -40.26 6.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.878 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.539 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 34.1 t-105 -63.62 -71.57 0.17 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -54.6 -21.71 11.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.966 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -64.79 -59.62 4.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.92 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.412 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 5.3 m95 -123.85 -42.5 2.17 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.928 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.567 HD13 ' HG3' ' A' ' 21' ' ' LYS . 0.9 OUTLIER -82.83 89.23 6.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.901 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.529 ' O ' HD12 ' A' ' 59' ' ' ILE . 7.8 t70 -168.13 139.84 2.36 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.594 0.711 . . . . 0.0 110.841 179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.423 ' HD2' ' CG ' ' A' ' 56' ' ' ASP . 53.5 Cg_endo -69.82 -50.51 0.45 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.674 2.249 . . . . 0.0 112.314 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.6 t -38.86 -39.34 0.51 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.847 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.529 HD12 ' O ' ' A' ' 56' ' ' ASP . 70.3 mt -40.23 140.34 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.111 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 34.7 mtmt -75.83 88.17 2.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.448 ' CE ' ' HA ' ' A' ' 61' ' ' LYS . 2.0 mmpt? -106.26 152.62 23.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 69.0 p -68.49 142.61 55.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.137 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 27.8 mt-10 -113.86 81.94 1.61 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.84 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 12.6 m95 41.57 41.78 1.77 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.911 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 44.2 p -161.46 125.04 3.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -103.24 -94.63 2.3 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.492 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 101.16 0.88 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.626 2.217 . . . . 0.0 112.351 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.8 m -117.52 137.82 52.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.853 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 77.0 p -66.71 161.66 22.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.516 -179.941 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.271 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.1 m -73.93 -54.07 8.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.898 0.38 . . . . 0.0 110.851 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.3 m -163.06 136.87 5.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.85 57.47 0.44 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.486 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.4 m -120.61 112.12 18.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.861 0.363 . . . . 0.0 110.869 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.5 t -48.21 -64.07 0.9 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.822 -179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.27 -63.95 0.61 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.48 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.5 mmtm -137.76 165.39 26.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.819 0.343 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.428 ' HA3' ' CD ' ' A' ' 46' ' ' GLN . . . -112.7 -33.3 2.08 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.495 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 9' ' ' GLY . . . -35.1 -56.37 0.87 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.473 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.414 ' O ' ' CD1' ' A' ' 12' ' ' TRP . 6.7 p -63.15 143.92 15.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.796 0.331 . . . . 0.0 111.101 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.612 ' CH2' HD13 ' A' ' 39' ' ' LEU . 6.9 m95 -145.51 174.91 10.75 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.928 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.9 mmt180 -126.76 146.41 50.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.888 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -42.67 -47.17 5.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.886 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 36.5 p -58.72 -51.65 69.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.559 ' HB3' ' CZ3' ' A' ' 12' ' ' TRP . 21.1 mt-10 -53.98 -42.87 69.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.9 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -62.86 -46.34 88.35 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 51.1 mm-40 -61.61 -53.5 55.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.895 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 21.9 mt -58.07 -47.35 87.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.152 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.582 HD12 HG21 ' A' ' 35' ' ' ILE . 21.7 tp -60.47 -60.76 3.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.931 179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.612 ' HG3' HD13 ' A' ' 55' ' ' LEU . 18.8 mtpp -41.75 -50.58 4.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 179.832 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.36 -59.59 5.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.098 179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 26' ' ' LYS . . . -42.31 -55.06 3.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.091 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.453 HG22 ' CZ3' ' A' ' 32' ' ' TRP . 59.6 t -45.15 -35.19 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.146 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.6 mmt -78.0 -27.98 49.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.857 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.555 ' HD2' ' CD1' ' A' ' 27' ' ' TYR . 6.2 tmtt? -84.05 -63.88 1.27 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.922 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.555 ' CD1' ' HD2' ' A' ' 26' ' ' LYS . 36.1 m-85 -73.56 -35.07 65.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.944 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 108.87 176.7 21.63 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.482 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 43.0 mttp -87.53 28.02 1.03 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.864 0.364 . . . . 0.0 110.948 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 80.7 m-20 -124.69 -30.19 3.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -85.07 30.32 0.6 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.453 ' CZ3' HG22 ' A' ' 24' ' ' VAL . 51.5 m95 -47.58 -37.85 13.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.697 ' HA ' ' HB2' ' A' ' 44' ' ' ALA . 69.9 m -62.89 -50.92 69.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.862 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 38.5 ttt85 -62.72 -46.88 86.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.582 HG21 HD12 ' A' ' 20' ' ' LEU . 86.7 mt -49.0 -50.16 14.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -44.68 -42.78 7.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.092 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.1 t -50.39 -41.47 52.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.4 mt -55.19 -50.58 69.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.901 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.612 HD13 ' CH2' ' A' ' 12' ' ' TRP . 6.8 mt -84.16 136.04 34.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.907 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.452 ' CD2' ' HG3' ' A' ' 41' ' ' ARG . 2.2 p-80 -83.72 138.07 33.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.844 179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.452 ' HG3' ' CD2' ' A' ' 40' ' ' HIS . 40.3 mtt-85 69.46 39.31 1.62 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.493 ' HE2' ' CE2' ' A' ' 12' ' ' TRP . 44.2 mmtm -140.54 171.91 13.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.3 t -151.54 164.67 36.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.856 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.697 ' HB2' ' HA ' ' A' ' 33' ' ' SER . . . -46.02 -54.75 7.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.075 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.7 tmtm? -46.62 -53.14 12.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.428 ' CD ' ' HA3' ' A' ' 9' ' ' GLY . 11.8 mm100 -60.25 -50.53 73.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 69.1 m -53.18 -38.39 62.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 42.8 tttm -74.69 -40.17 61.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.908 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.415 ' O ' ' CG ' ' A' ' 53' ' ' GLU . . . -70.02 -64.56 0.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.092 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.49 ' HG2' ' CE2' ' A' ' 12' ' ' TRP . 6.6 tpt180 -44.72 -39.07 4.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.506 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 29.3 t-105 -66.58 -73.12 0.14 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.923 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 28.3 m-85 -54.45 -17.78 3.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.953 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.415 ' CG ' ' O ' ' A' ' 49' ' ' ALA . 4.7 mm-40 -68.71 -55.87 9.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.887 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.451 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 4.2 m95 -127.94 -38.46 1.84 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.612 HD13 ' HG3' ' A' ' 21' ' ' LYS . 1.4 mt -83.85 91.84 7.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.893 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.42 ' CG ' ' HD2' ' A' ' 57' ' ' PRO . 14.1 t70 -173.37 140.13 0.86 Allowed Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.6 0.714 . . . . 0.0 110.831 179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.42 ' HD2' ' CG ' ' A' ' 56' ' ' ASP . 53.4 Cg_endo -69.84 -48.15 0.76 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.676 2.25 . . . . 0.0 112.315 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.3 t -41.55 -40.52 1.88 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.451 ' CD1' ' O ' ' A' ' 54' ' ' TRP . 85.2 mt -37.9 141.13 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.096 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.3 ptmt -90.08 83.11 6.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.9 mtpm? -108.38 -55.48 2.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.0 t -146.59 163.16 36.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.146 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -67.4 158.33 31.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 15.7 m-90 -57.77 108.08 0.53 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.916 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 48.7 p -75.71 -50.72 14.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.82 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 112.63 142.75 8.61 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.526 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -36.75 10.2 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.702 2.268 . . . . 0.0 112.328 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 5.1 t -80.76 43.8 0.7 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.874 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 4.9 m -93.82 136.87 33.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.484 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.9 m -96.09 121.41 37.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.879 0.371 . . . . 0.0 110.859 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.6 m 52.08 46.23 26.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.885 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.32 116.13 0.74 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.479 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.1 m -73.98 84.24 1.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.841 0.353 . . . . 0.0 110.869 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 m -119.56 79.91 1.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.8 73.13 0.43 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.43 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.1 mtmm -88.54 -52.38 5.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.786 0.326 . . . . 0.0 110.892 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.441 ' HA2' ' NE2' ' A' ' 46' ' ' GLN . . . 113.94 85.8 1.4 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.467 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -176.58 -58.5 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.468 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.5 p -69.85 146.16 12.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.795 0.331 . . . . 0.0 111.163 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.583 ' CE3' ' HB3' ' A' ' 16' ' ' GLU . 7.6 m95 -142.88 154.9 44.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.914 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 14' ' ' ASN . 25.1 mtt180 -112.21 148.39 34.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.402 ' C ' ' O ' ' A' ' 13' ' ' ARG . 9.7 p-10 -37.79 -53.83 1.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.837 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 40.7 p -54.81 -59.24 4.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.137 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.583 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 7.3 mm-40 -43.27 -43.55 4.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.888 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.52 -47.64 66.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -52.17 -42.47 63.45 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.867 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.463 ' HB ' HD21 ' A' ' 39' ' ' LEU . 21.3 mt -69.07 -53.49 25.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.191 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.68 HD12 HG21 ' A' ' 35' ' ' ILE . 27.8 tp -54.63 -63.73 1.06 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.904 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.629 ' HG3' HD13 ' A' ' 55' ' ' LEU . 17.2 mtpp -38.43 -56.24 1.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.09 -55.95 25.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -49.87 -51.15 42.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.094 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.489 ' CG1' ' HG3' ' A' ' 29' ' ' LYS . 98.8 t -56.41 -26.0 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.15 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 7.5 mmt -84.3 -27.18 28.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.872 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 59.8 tttt -87.36 -60.86 1.86 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.919 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.559 ' HE2' HD11 ' A' ' 38' ' ' LEU . 6.7 m-85 -76.03 -31.23 58.76 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.892 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.9 169.69 26.27 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.519 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.489 ' HG3' ' CG1' ' A' ' 24' ' ' VAL . 14.8 mtmm -80.72 43.22 0.66 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.798 0.332 . . . . 0.0 110.861 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 50.9 m-80 -133.22 -38.12 0.96 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.861 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -83.68 49.5 1.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.92 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.449 ' CZ3' HG22 ' A' ' 24' ' ' VAL . 64.1 m95 -63.44 -48.44 77.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.63 ' HA ' ' HB2' ' A' ' 44' ' ' ALA . 78.0 p -55.01 -34.83 63.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.877 -179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.9 ttt180 -79.34 -44.58 21.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.68 HG21 HD12 ' A' ' 20' ' ' LEU . 62.0 mt -55.91 -50.98 65.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.107 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -45.0 -36.73 3.58 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.131 179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 46.8 t -56.72 -39.95 74.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.87 -179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.559 HD11 ' HE2' ' A' ' 27' ' ' TYR . 18.1 mt -54.33 -45.25 72.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.878 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.475 HD13 ' CH2' ' A' ' 12' ' ' TRP . 6.1 mt -89.8 133.17 34.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.529 ' CE1' ' HG2' ' A' ' 41' ' ' ARG . 16.0 t-80 -76.34 138.72 40.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.875 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.529 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 16.3 mmt180 65.21 33.21 9.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.834 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.477 ' HE3' ' NE1' ' A' ' 12' ' ' TRP . 34.2 mmtm -132.05 135.43 46.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.918 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 32.8 p -113.43 158.71 20.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.863 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.63 ' HB2' ' HA ' ' A' ' 33' ' ' SER . . . -42.51 -44.43 4.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.147 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.7 tttt -55.66 -52.69 62.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.873 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.441 ' NE2' ' HA2' ' A' ' 9' ' ' GLY . 10.3 mt-30 -55.17 -40.05 70.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 64.6 m -64.6 -55.52 19.8 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.899 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 49.2 tttm -58.01 -49.88 75.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.61 -65.25 0.7 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.113 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.451 ' CZ ' ' HB2' ' A' ' 12' ' ' TRP . 10.3 tpt180 -46.8 -35.91 6.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.88 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.545 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 31.9 t-105 -68.59 -70.33 0.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.934 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 33.9 m-85 -55.93 -19.24 11.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -67.4 -59.63 3.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.879 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.477 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 5.7 m95 -123.76 -41.69 2.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.911 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.629 HD13 ' HG3' ' A' ' 21' ' ' LYS . 0.9 OUTLIER -82.32 88.96 6.52 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.892 179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.637 ' O ' HD12 ' A' ' 59' ' ' ILE . 8.3 t70 -170.47 139.81 1.45 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.621 0.724 . . . . 0.0 110.899 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.424 ' HD2' ' CG ' ' A' ' 56' ' ' ASP . 53.8 Cg_endo -69.75 -49.4 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.737 2.292 . . . . 0.0 112.326 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 22.7 t -40.31 -38.1 0.75 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.824 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.637 HD12 ' O ' ' A' ' 56' ' ' ASP . 59.6 mt -40.61 141.61 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.142 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.4 ptmm? -91.51 44.73 1.19 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.869 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 13.9 tttp -100.39 157.84 16.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.872 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 63' ' ' GLU . 4.2 t -49.96 -31.33 12.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.182 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 62' ' ' THR . 0.8 OUTLIER 37.82 38.59 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.459 ' CG ' ' N ' ' A' ' 65' ' ' SER . 5.4 p90 -45.14 -42.85 9.36 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.93 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.459 ' N ' ' CG ' ' A' ' 64' ' ' TRP . 54.6 m -52.57 -44.53 65.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.869 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -115.27 83.08 0.33 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.491 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -2.09 9.6 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.718 2.279 . . . . 0.0 112.333 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 68.5 m -40.38 -58.64 1.49 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.838 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.3 m -95.54 126.43 40.82 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.424 -179.977 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -157.12 107.93 2.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.887 0.375 . . . . 0.0 110.861 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.2 t -154.86 132.23 11.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.58 -97.7 0.12 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.495 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.7 t -131.22 -43.37 1.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.882 0.372 . . . . 0.0 110.896 -179.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 m -58.17 131.86 51.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.836 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.85 102.35 2.15 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.483 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.6 pttt -132.33 -42.67 0.96 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.862 0.363 . . . . 0.0 110.923 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 10' ' ' GLY . . . 172.48 -38.85 0.16 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.53 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 9' ' ' GLY . . . -35.15 -70.48 0.18 Allowed Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.467 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.496 ' O ' ' CD1' ' A' ' 12' ' ' TRP . 27.7 m -67.7 159.63 4.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.778 0.323 . . . . 0.0 111.124 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.496 ' CD1' ' O ' ' A' ' 11' ' ' VAL . 9.7 m95 -152.28 139.83 19.69 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.944 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.434 ' O ' ' C ' ' A' ' 14' ' ' ASN . 29.0 mtm180 -106.77 143.67 34.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.885 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.434 ' C ' ' O ' ' A' ' 13' ' ' ARG . 2.5 p30 -35.12 -54.02 0.6 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 27.7 p -49.53 -57.66 6.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.14 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.451 ' HA ' ' CD2' ' A' ' 39' ' ' LEU . 43.1 mt-10 -53.51 -40.75 65.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.0 -49.18 73.46 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.832 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -55.21 -53.52 54.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.896 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 26.4 mt -55.25 -42.82 68.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.142 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.793 ' O ' HG23 ' A' ' 24' ' ' VAL . 27.2 tp -65.59 -61.04 2.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.913 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.556 ' CG ' HD13 ' A' ' 55' ' ' LEU . 52.1 mtmt -44.64 -59.39 2.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.99 -59.03 5.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.104 179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.9 -50.56 8.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.13 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.793 HG23 ' O ' ' A' ' 20' ' ' LEU . 48.9 t -51.24 -34.81 15.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.105 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.4 mmt -77.06 -34.38 57.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.405 ' HE2' ' CZ ' ' A' ' 27' ' ' TYR . 51.1 tttt -78.81 -64.83 1.09 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.896 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.405 ' CZ ' ' HE2' ' A' ' 26' ' ' LYS . 55.0 m-85 -71.11 -32.02 68.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 105.13 -178.57 23.64 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.464 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 85.2 mttt -93.7 29.63 1.99 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 0.0 110.88 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -122.95 -33.67 3.31 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.873 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -85.76 37.29 0.69 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.904 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.4 ' HA ' HD12 ' A' ' 35' ' ' ILE . 53.7 m95 -50.61 -39.95 51.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 29.6 p -63.11 -48.92 76.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.875 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 48.0 ttt85 -63.26 -44.9 93.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.845 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.4 HD12 ' HA ' ' A' ' 32' ' ' TRP . 79.6 mt -52.5 -49.92 41.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.512 ' HB1' ' O ' ' A' ' 42' ' ' LYS . . . -46.99 -40.68 14.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.095 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.0 t -48.29 -42.05 29.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.846 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.5 mt -54.73 -45.53 74.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.923 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.451 ' CD2' ' HA ' ' A' ' 16' ' ' GLU . 7.9 mt -87.47 141.68 28.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.912 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.476 ' CD2' ' HG2' ' A' ' 41' ' ' ARG . 15.2 t-80 -83.62 134.35 34.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.841 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.476 ' HG2' ' CD2' ' A' ' 40' ' ' HIS . 12.3 mmm180 63.63 47.07 3.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.512 ' O ' ' HB1' ' A' ' 36' ' ' ALA . 43.3 mmtm -143.14 134.96 26.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 17.7 m -116.23 160.75 20.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -41.78 -44.67 3.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.121 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 19.6 tptp -52.73 -46.54 67.47 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.423 ' CD ' ' HA3' ' A' ' 9' ' ' GLY . 20.1 mm-40 -65.09 -54.42 30.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.917 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 68.5 m -51.18 -43.22 61.27 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.849 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.3 tttm -71.4 -37.47 71.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.861 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.42 -65.31 0.73 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.06 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.1 tpt180 -47.63 -37.14 12.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.55 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 38.5 t-105 -66.06 -69.18 0.32 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.879 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -57.41 -21.66 37.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.911 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -64.16 -58.48 6.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.462 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 5.2 m95 -125.9 -42.4 1.9 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.556 HD13 ' CG ' ' A' ' 21' ' ' LYS . 0.9 OUTLIER -82.7 84.52 7.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.898 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' A' ' 58' ' ' SER . 0.8 OUTLIER -167.36 133.66 1.78 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.589 0.709 . . . . 0.0 110.85 179.879 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.402 ' N ' ' OD1' ' A' ' 56' ' ' ASP . 53.4 Cg_endo -69.77 -42.86 3.02 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.637 2.225 . . . . 0.0 112.346 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.49 ' N ' ' OD1' ' A' ' 56' ' ' ASP . 40.0 t -51.29 -30.76 19.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.462 ' CD1' ' O ' ' A' ' 54' ' ' TRP . 91.8 mt -39.16 147.65 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.091 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.0 mtpp -93.22 102.43 14.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.935 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 70.3 mttt -152.53 169.05 23.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.916 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 42.4 p -128.53 97.42 4.7 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.14 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -47.67 165.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 26.2 m-90 -140.97 117.83 11.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 83.3 p -57.52 154.16 11.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -79.07 -65.89 1.76 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.505 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.426 ' HG2' ' C ' ' A' ' 70' ' ' GLY . 53.8 Cg_endo -69.76 121.09 7.78 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.685 2.257 . . . . 0.0 112.315 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 45.3 m -61.77 -44.39 96.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 23.3 t -76.27 -53.86 7.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.883 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.426 ' C ' ' HG2' ' A' ' 67' ' ' PRO . . . . . . . . 0 N--CA 1.451 -0.335 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.464 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.3 p -96.75 42.2 1.09 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.878 0.37 . . . . 0.0 110.851 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.9 p -117.3 133.9 55.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.88 170.15 41.37 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.522 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 m -128.36 -50.76 1.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.882 0.373 . . . . 0.0 110.857 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.9 t -94.34 41.95 1.09 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.917 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.64 -170.66 35.24 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.501 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.5 mmtt -75.73 129.2 36.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.847 0.356 . . . . 0.0 110.871 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -142.2 74.09 0.35 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.516 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -63.71 -161.71 0.4 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.509 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.51 ' O ' ' CD1' ' A' ' 12' ' ' TRP . 33.4 m -106.01 165.64 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.829 0.347 . . . . 0.0 111.131 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.539 ' CZ2' ' HD2' ' A' ' 42' ' ' LYS . 36.4 m95 -155.69 131.94 10.16 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.957 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.3 mmm180 -108.25 155.88 19.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.844 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -38.99 -56.14 1.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 14.0 p -55.1 -60.4 3.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.168 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -42.97 -38.8 2.36 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.875 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -73.62 -46.05 49.23 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -56.83 -35.5 68.89 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.461 ' HB ' HD21 ' A' ' 39' ' ' LEU . 27.6 mt -69.09 -41.88 81.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.132 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.793 HD23 HD12 ' A' ' 55' ' ' LEU . 30.6 tp -60.71 -69.04 0.25 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.897 ' HD2' HD13 ' A' ' 55' ' ' LEU . 0.0 OUTLIER -34.19 -57.14 0.49 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.836 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.86 -63.06 1.27 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.175 179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -44.96 -53.2 7.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.099 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 76.0 t -50.68 -32.32 10.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.14 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 12.1 mmt -77.38 -36.99 53.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.872 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.5 tttp -77.87 -62.85 1.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.923 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.464 ' CD2' ' HD3' ' A' ' 34' ' ' ARG . 70.8 m-85 -71.32 -30.06 65.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.864 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 100.13 170.28 29.6 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.438 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.49 ' HE3' ' CZ2' ' A' ' 51' ' ' TRP . 26.6 mttp -84.2 37.66 0.63 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.806 0.336 . . . . 0.0 110.875 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -130.3 -31.41 1.86 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -88.64 37.93 0.85 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.895 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 48.3 m95 -49.28 -39.55 31.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 40.1 t -62.05 -47.59 84.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.85 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.464 ' HD3' ' CD2' ' A' ' 27' ' ' TYR . 26.3 ttt180 -66.52 -42.5 87.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.852 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.538 HG21 HD12 ' A' ' 20' ' ' LEU . 88.5 mt -56.1 -39.6 59.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.138 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -59.03 -43.56 91.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.092 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 58.3 m -49.03 -42.1 37.15 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.9 mt -55.03 -42.68 72.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.461 HD21 ' HB ' ' A' ' 19' ' ' ILE . 6.9 mt -91.57 125.32 36.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.915 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.527 ' CD2' ' HG2' ' A' ' 41' ' ' ARG . 56.8 t60 -70.33 134.31 47.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.912 179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.527 ' HG2' ' CD2' ' A' ' 40' ' ' HIS . 26.4 mmm-85 67.25 43.11 2.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.859 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.539 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 23.3 mmtm -141.1 137.11 32.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 47.0 t -119.19 159.42 24.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.867 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -43.4 -41.93 4.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.075 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.2 tmtt? -56.1 -50.81 70.01 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 19.9 mt-30 -63.07 -44.16 96.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 69.3 m -59.21 -46.2 89.06 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 16.3 tttt -66.6 -47.64 72.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.8 -63.21 1.28 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.116 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.519 ' HG2' ' CD2' ' A' ' 12' ' ' TRP . 5.8 tpt180 -46.08 -39.38 9.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.52 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 24.5 t-105 -66.8 -74.22 0.12 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 36.1 m-85 -53.14 -19.94 3.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.964 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -66.27 -55.79 14.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.837 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.453 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 4.6 m95 -127.93 -38.07 1.87 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.919 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.897 HD13 ' HD2' ' A' ' 21' ' ' LYS . 1.3 mt -84.64 90.58 7.72 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.915 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.498 ' O ' HD12 ' A' ' 59' ' ' ILE . 19.7 t70 -172.45 139.56 0.98 Allowed Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.647 0.737 . . . . 0.0 110.85 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.4 ' HD2' ' CG ' ' A' ' 56' ' ' ASP . 53.7 Cg_endo -69.74 -45.74 1.49 Allowed 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.655 2.236 . . . . 0.0 112.348 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.4 t -43.74 -37.8 2.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.825 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.498 HD12 ' O ' ' A' ' 56' ' ' ASP . 69.0 mt -40.73 140.21 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.158 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 15.5 mtpp -91.34 44.29 1.18 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.904 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 17.4 ttmt -104.17 41.52 1.3 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.933 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.1 t -168.52 138.11 2.38 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.15 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 64' ' ' TRP . 20.3 tt0 -65.27 -61.64 2.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.867 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.411 ' C ' ' O ' ' A' ' 63' ' ' GLU . 4.8 t90 -37.56 118.77 0.67 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.924 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 41.6 t -90.08 117.9 29.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.838 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -119.32 86.17 0.4 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.481 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 137.14 34.62 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.682 2.254 . . . . 0.0 112.335 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.6 t -100.09 -57.28 2.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.873 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 32.6 p -94.93 163.43 13.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.823 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.464 179.998 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.8 m -134.09 143.87 48.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.906 0.384 . . . . 0.0 110.858 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 54.0 p -71.82 148.45 46.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.84 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.9 128.63 2.88 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.451 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.7 m -53.04 -53.42 50.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.875 0.369 . . . . 0.0 110.897 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 85.5 p -62.95 176.71 0.67 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.855 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.73 117.09 0.48 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.498 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.31 162.97 23.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.818 0.342 . . . . 0.0 110.913 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -164.25 129.66 2.04 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.533 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -129.76 147.17 17.86 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.487 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.444 ' O ' ' CD1' ' A' ' 12' ' ' TRP . 33.6 m -63.94 172.0 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.841 0.353 . . . . 0.0 111.107 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.564 ' CH2' HD13 ' A' ' 39' ' ' LEU . 23.9 m95 -153.19 129.4 10.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.954 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 60.3 mtt180 -104.8 157.83 16.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -44.34 -47.95 9.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.863 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 44.6 p -57.81 -50.06 74.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.148 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -56.19 -41.93 76.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.526 ' OD2' HD21 ' A' ' 55' ' ' LEU . 0.5 OUTLIER -68.82 -46.63 68.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.899 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 42.8 mm-40 -54.53 -47.17 73.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 27.0 mt -63.11 -44.44 99.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.143 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.877 ' O ' HG23 ' A' ' 24' ' ' VAL . 37.0 tp -61.21 -59.18 5.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.472 ' HG3' HD13 ' A' ' 55' ' ' LEU . 27.3 mtmt -42.64 -59.3 1.96 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.945 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.423 ' O ' ' N ' ' A' ' 25' ' ' MET . . . -57.11 -63.99 1.03 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.066 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -39.14 -52.11 1.9 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.081 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.877 HG23 ' O ' ' A' ' 20' ' ' LEU . 42.5 t -51.52 -37.78 19.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.087 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.423 ' N ' ' O ' ' A' ' 22' ' ' ALA . 18.1 mmt -74.69 -35.29 62.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.85 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -70.1 -62.34 1.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.899 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 65.2 m-85 -78.42 -32.56 48.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.936 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.49 ' CA ' ' O ' ' A' ' 24' ' ' VAL . . . 107.78 170.75 21.78 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.427 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.0 mttp -81.67 41.27 0.63 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.832 0.348 . . . . 0.0 110.95 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 14.7 p-10 -132.05 -34.53 1.27 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.893 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 28.0 mt-30 -85.88 40.72 0.87 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 52.8 m95 -54.81 -40.15 69.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.94 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.495 ' HA ' ' HB2' ' A' ' 44' ' ' ALA . 89.8 p -64.35 -39.79 94.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.899 -179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.95 -40.76 65.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.893 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.604 HG21 HD12 ' A' ' 20' ' ' LEU . 90.1 mt -58.47 -38.99 73.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.11 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -54.97 -41.94 71.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.128 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.1 m -51.82 -40.97 61.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.846 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 30.5 mt -55.75 -45.82 77.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.901 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.564 HD13 ' CH2' ' A' ' 12' ' ' TRP . 10.5 mt -87.03 123.29 31.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 17.5 t-160 -69.6 134.62 48.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.84 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 40.6 mtm-85 68.36 43.91 1.4 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.828 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.558 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 21.1 mmtm -139.49 170.48 15.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.895 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 15.1 t -153.6 161.28 42.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.844 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.495 ' HB2' ' HA ' ' A' ' 33' ' ' SER . . . -42.48 -62.37 0.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.132 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.2 tptp -41.94 -52.17 4.2 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.898 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 35.7 mm-40 -59.31 -51.56 69.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.922 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 67.1 m -52.41 -48.35 65.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.872 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 30.0 tttm -64.23 -45.02 90.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.19 -64.34 0.96 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.047 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.513 ' HG2' ' CD2' ' A' ' 12' ' ' TRP . 8.3 tpt180 -47.31 -41.12 18.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.868 -179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.539 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 38.8 t-105 -63.24 -71.89 0.15 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.958 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -55.91 -20.55 16.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -64.76 -56.84 11.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.951 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.485 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 4.9 m95 -128.01 -41.2 1.63 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.952 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.554 HD12 HD23 ' A' ' 20' ' ' LEU . 1.1 mt -81.76 90.44 6.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.912 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.414 ' CG ' ' HD2' ' A' ' 57' ' ' PRO . 9.6 t70 -173.33 140.28 0.87 Allowed Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.581 0.705 . . . . 0.0 110.859 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.414 ' HD2' ' CG ' ' A' ' 56' ' ' ASP . 54.1 Cg_endo -69.72 -49.94 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.63 2.22 . . . . 0.0 112.344 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.2 m -39.85 -40.52 1.0 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.485 ' CD1' ' O ' ' A' ' 54' ' ' TRP . 88.9 mt -37.69 138.24 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.175 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 32.2 mttt -123.04 96.4 5.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.8 -51.35 0.98 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.891 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 81.7 p -117.29 157.23 26.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -108.36 -45.95 3.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 24.7 t90 -79.97 114.08 18.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.937 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 78.1 p -91.03 120.59 32.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -69.6 -159.66 2.31 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.505 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 2.72 3.28 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.669 2.246 . . . . 0.0 112.389 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 25.4 p -166.51 137.95 3.52 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.83 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 19.8 m -47.38 -45.63 25.22 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.844 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.529 179.986 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.3 m 59.81 42.57 16.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.855 0.359 . . . . 0.0 110.865 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.8 t -64.45 126.87 29.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.862 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.75 -122.15 1.33 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.453 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 6' ' ' SER . 48.3 t -106.8 -60.7 1.63 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.899 0.381 . . . . 0.0 110.866 -179.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 5' ' ' SER . 80.0 p 34.52 42.33 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.48 -172.31 18.93 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.478 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.441 ' O ' ' C ' ' A' ' 9' ' ' GLY . 10.9 mmtp -61.56 -52.93 62.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.821 0.343 . . . . 0.0 110.889 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.441 ' C ' ' O ' ' A' ' 8' ' ' LYS . . . -35.12 120.53 0.43 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.484 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -86.77 160.87 32.98 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.487 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.465 HG12 ' N ' ' A' ' 12' ' ' TRP . 67.4 t -76.62 155.75 5.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.831 0.348 . . . . 0.0 111.146 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.473 ' CH2' HD13 ' A' ' 39' ' ' LEU . 29.1 m95 -146.83 132.29 18.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.7 mmt85 -105.7 157.34 17.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.838 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -40.38 -54.43 2.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 21.6 p -55.51 -59.67 4.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.464 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 6.7 mm-40 -42.94 -41.88 3.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -66.71 -44.71 80.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.4 mm-40 -56.52 -52.11 65.98 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.483 ' HB ' HD21 ' A' ' 39' ' ' LEU . 23.4 mt -53.28 -49.62 51.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.766 HD12 HG21 ' A' ' 35' ' ' ILE . 17.0 tp -62.9 -59.61 4.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.953 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.574 ' HG3' HD13 ' A' ' 55' ' ' LEU . 24.4 mtpp -42.98 -53.33 4.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.93 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.415 ' O ' ' N ' ' A' ' 25' ' ' MET . . . -60.08 -66.06 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.086 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -38.98 -51.66 1.8 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.636 HG22 HD13 ' A' ' 35' ' ' ILE . 88.4 t -52.32 -38.18 24.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.165 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.415 ' N ' ' O ' ' A' ' 22' ' ' ALA . 8.0 mmt -70.28 -31.21 68.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.853 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.552 ' HD3' ' CE1' ' A' ' 27' ' ' TYR . 36.5 tttm -80.39 -66.06 0.93 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.858 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.552 ' CE1' ' HD3' ' A' ' 26' ' ' LYS . 4.3 m-85 -71.21 -29.19 64.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.912 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.465 ' CA ' ' O ' ' A' ' 24' ' ' VAL . . . 107.42 177.94 22.53 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.533 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.463 ' HG2' ' CG1' ' A' ' 24' ' ' VAL . 28.2 mttp -88.12 29.79 0.92 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.787 0.327 . . . . 0.0 110.898 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 69.5 m-80 -123.16 -35.05 3.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -82.81 45.74 1.02 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.43 ' CD1' ' HD2' ' A' ' 48' ' ' LYS . 60.8 m95 -58.4 -39.89 80.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.2 p -62.35 -47.14 85.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.902 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 13.7 ttt180 -64.2 -41.42 97.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.881 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.766 HG21 HD12 ' A' ' 20' ' ' LEU . 61.8 mt -60.73 -44.05 96.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.093 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -52.69 -44.5 66.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.136 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 2.8 m -46.36 -42.42 14.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.482 HD11 ' HE2' ' A' ' 27' ' ' TYR . 21.1 mt -53.18 -52.47 58.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.93 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.483 HD21 ' HB ' ' A' ' 19' ' ' ILE . 4.1 mt -80.34 130.88 35.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.922 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.489 ' CE1' ' HG2' ' A' ' 41' ' ' ARG . 31.3 t60 -74.61 133.68 42.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.489 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 1.5 mmp_? 68.11 38.06 2.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.84 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 41.2 mmtm -132.33 147.52 52.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.911 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 62.1 m -127.16 165.56 19.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -50.14 -52.11 37.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.059 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.9 mmmt -48.58 -50.85 30.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.872 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -59.45 -46.0 90.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.887 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 66.9 m -59.06 -48.49 81.41 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.895 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.43 ' HD2' ' CD1' ' A' ' 32' ' ' TRP . 12.6 tttp -64.79 -46.4 82.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.5 -63.24 1.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.104 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 -47.64 -40.88 20.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.495 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 19.5 t-105 -67.03 -69.16 0.33 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.934 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 29.0 m-85 -57.04 -18.09 12.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.868 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -69.53 -55.05 11.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.487 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 4.3 m95 -126.78 -40.86 1.87 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.901 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.574 HD13 ' HG3' ' A' ' 21' ' ' LYS . 1.3 mt -82.71 89.08 6.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.933 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.478 ' O ' HD12 ' A' ' 59' ' ' ILE . 9.7 t70 -170.72 137.02 1.17 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.632 0.73 . . . . 0.0 110.859 179.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -48.72 0.67 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.671 2.247 . . . . 0.0 112.375 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 16.0 m -45.12 -33.56 2.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.825 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.487 ' CD1' ' O ' ' A' ' 54' ' ' TRP . 87.3 mt -39.77 138.11 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.138 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -106.75 83.77 1.9 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.74 142.01 55.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.918 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 82.4 p -130.46 114.13 15.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.147 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -82.89 -45.67 13.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -72.32 -59.88 2.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.906 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 66' ' ' GLY . 13.8 t -40.47 -43.91 1.92 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.858 -179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.432 ' C ' ' O ' ' A' ' 65' ' ' SER . . . -35.6 -91.52 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.487 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 147.34 62.9 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.639 2.226 . . . . 0.0 112.367 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.2 t -98.53 128.45 44.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 5.0 m -64.16 109.55 1.89 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.878 -179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.451 -180.0 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.526 -0.229 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.4 p -166.16 159.27 15.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.873 0.368 . . . . 0.0 110.826 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.5 p -107.15 87.55 2.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.836 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.65 164.93 31.4 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.518 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.3 m -61.21 -47.15 87.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.859 0.361 . . . . 0.0 110.87 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 t -45.17 148.51 0.59 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.55 126.46 4.34 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.435 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 10.3 ptpt -86.02 152.19 23.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.784 0.326 . . . . 0.0 110.923 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 149.25 161.34 9.67 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.472 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -115.69 159.76 13.65 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.486 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.489 ' O ' ' CD1' ' A' ' 12' ' ' TRP . 35.4 m -78.01 168.87 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.797 0.332 . . . . 0.0 111.144 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.575 ' CE3' ' HB3' ' A' ' 16' ' ' GLU . 30.3 m95 -154.65 126.77 7.75 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.928 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.7 mmm180 -100.56 157.58 16.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.828 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.4 p-10 -40.26 -54.24 2.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.89 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.2 p -54.55 -59.25 4.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.094 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.575 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 7.4 mm-40 -43.76 -44.62 6.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.939 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -68.72 -49.13 61.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -53.53 -46.68 70.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 46.1 mt -60.11 -49.41 84.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.132 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.654 HD23 HD12 ' A' ' 55' ' ' LEU . 22.8 tp -58.14 -65.75 0.59 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.876 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.456 ' C ' ' O ' ' A' ' 20' ' ' LEU . 9.7 mtmm -33.99 -52.22 0.44 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.874 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 25' ' ' MET . . . -68.27 -60.95 2.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.091 179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -39.54 -52.1 2.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.094 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.486 ' O ' ' CA ' ' A' ' 28' ' ' GLY . 66.4 t -49.18 -37.73 10.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.119 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.414 ' N ' ' O ' ' A' ' 22' ' ' ALA . 16.2 mmt -77.94 -34.05 51.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.879 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.7 ttpt -69.15 -61.31 1.84 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -82.07 -34.45 29.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.937 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.486 ' CA ' ' O ' ' A' ' 24' ' ' VAL . . . 113.76 174.94 18.95 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.496 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.484 ' HG2' ' CG1' ' A' ' 24' ' ' VAL . 41.9 mttp -86.04 21.58 1.94 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.792 0.329 . . . . 0.0 110.907 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 71.2 m-80 -116.14 -33.35 5.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 21.9 mt-30 -86.47 45.58 1.26 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.881 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 52.1 m95 -57.83 -38.32 75.39 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.5 m -62.28 -49.96 73.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.888 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 43.7 ttt180 -62.02 -43.24 99.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.602 HG21 HD12 ' A' ' 20' ' ' LEU . 76.2 mt -55.87 -42.17 69.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.144 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.34 -35.17 64.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.05 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 23.1 t -58.92 -39.23 80.94 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.859 -179.787 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 34.9 mt -59.11 -43.18 91.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.945 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.416 HD22 ' OE1' ' A' ' 16' ' ' GLU . 7.1 mt -86.26 138.05 32.15 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.92 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.574 ' CD2' ' HG2' ' A' ' 41' ' ' ARG . 11.0 t-160 -84.11 133.89 34.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.574 ' HG2' ' CD2' ' A' ' 40' ' ' HIS . 15.3 mmm180 67.26 43.72 1.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.429 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 27.2 mmtt -139.66 161.27 37.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.936 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 1.2 t -142.54 163.16 33.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.881 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -47.51 -41.35 20.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.095 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.414 ' C ' ' HD3' ' A' ' 45' ' ' LYS . 1.2 tmtp? -56.84 -54.45 46.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.864 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 42.9 mm-40 -63.34 -46.96 84.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 61.8 m -56.57 -45.48 81.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.8 tttm -69.74 -43.41 72.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.943 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.17 -65.41 0.68 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.111 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.44 ' HG2' ' CE2' ' A' ' 12' ' ' TRP . 6.3 tpt180 -43.95 -40.94 4.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.889 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.552 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 31.3 t-105 -63.58 -70.05 0.24 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.904 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 31.8 m-85 -56.95 -18.73 14.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.905 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.2 mt-10 -67.37 -56.29 10.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.907 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.493 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 6.3 m95 -127.81 -40.7 1.7 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.654 HD12 HD23 ' A' ' 20' ' ' LEU . 0.8 OUTLIER -81.87 89.38 6.34 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.463 ' OD1' ' N ' ' A' ' 58' ' ' SER . 1.3 t70 -170.64 141.72 1.57 Allowed Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.536 0.684 . . . . 0.0 110.886 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -50.27 0.48 Allowed 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.711 2.274 . . . . 0.0 112.348 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.463 ' N ' ' OD1' ' A' ' 56' ' ' ASP . 19.2 m -40.7 -42.36 1.72 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.493 ' CD1' ' O ' ' A' ' 54' ' ' TRP . 85.7 mt -37.51 136.82 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.141 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.4 mmmt -86.12 84.87 7.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.834 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.402 ' HG3' HG22 ' A' ' 59' ' ' ILE . 87.2 mttt -104.49 147.55 27.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.587 ' O ' HG23 ' A' ' 62' ' ' THR . 10.2 t -111.44 109.78 19.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.142 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -127.93 42.02 3.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.896 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.519 ' CG ' ' O ' ' A' ' 64' ' ' TRP . 0.7 OUTLIER -94.17 41.83 1.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.907 -179.929 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 16.5 m -101.6 151.79 21.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.841 -179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -64.33 172.06 18.21 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.524 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 93.9 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.676 2.251 . . . . 0.0 112.387 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 1.3 t -44.56 -52.28 8.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 29.3 t -140.12 139.02 35.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.844 -179.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.5 -179.996 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.521 -0.232 . . . . 0.0 112.521 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 3' ' ' SER . 52.8 p -107.75 -43.62 4.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.885 0.374 . . . . 0.0 110.835 -179.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 2' ' ' SER . 40.0 m 34.87 42.15 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.826 -179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.98 -77.85 0.24 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.47 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.6 t -160.99 129.81 4.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.874 0.369 . . . . 0.0 110.867 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 t -70.3 -57.55 4.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.869 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 165.94 42.84 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.53 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -163.37 174.46 11.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.842 0.353 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.465 ' HA3' ' NE2' ' A' ' 46' ' ' GLN . . . -66.98 -114.04 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.512 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 73.47 -75.64 1.0 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.483 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 87.3 t -75.55 142.86 13.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.794 0.331 . . . . 0.0 111.182 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.579 ' CE3' ' HB3' ' A' ' 16' ' ' GLU . 12.8 m95 -145.63 133.93 21.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.414 ' O ' ' C ' ' A' ' 14' ' ' ASN . 57.3 mtt180 -100.29 147.49 25.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.914 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 13' ' ' ARG . 0.6 OUTLIER -36.02 -55.24 0.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.872 -179.91 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.5 p -50.79 -58.76 5.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.119 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.579 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 7.5 mm-40 -46.46 -49.94 17.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.14 -44.3 97.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -56.82 -56.01 27.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 21.5 mt -53.9 -44.33 60.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.1 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.771 ' O ' HG23 ' A' ' 24' ' ' VAL . 21.2 tp -62.99 -58.1 8.47 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.614 ' HG3' HD13 ' A' ' 55' ' ' LEU . 6.6 mtpm? -42.03 -58.7 1.99 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -51.69 -64.78 0.7 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.102 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.67 -54.36 5.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.078 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.771 HG23 ' O ' ' A' ' 20' ' ' LEU . 40.5 t -50.02 -29.13 5.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.094 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 6.4 mmt -82.69 -25.4 33.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.862 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.611 ' HD2' ' CE1' ' A' ' 27' ' ' TYR . 21.2 ttmt -91.96 -62.05 1.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.862 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.803 ' HE2' HD11 ' A' ' 38' ' ' LEU . 5.8 m-85 -72.85 -35.07 67.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.976 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 100.22 179.47 30.01 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.473 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.06 42.76 1.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.823 0.344 . . . . 0.0 110.866 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 7.2 p-10 -132.79 -33.17 1.21 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.835 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 21.5 mt-30 -91.09 38.25 0.96 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 54.9 m95 -52.65 -36.67 57.17 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.41 ' HA ' ' HB2' ' A' ' 44' ' ' ALA . 3.7 m -60.0 -43.72 95.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.886 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.3 ttt-85 -71.64 -51.66 21.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.853 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.662 HG21 HD12 ' A' ' 20' ' ' LEU . 46.0 mt -43.84 -50.43 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.141 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -45.12 -38.39 5.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.092 179.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 12.9 t -53.9 -39.4 65.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.818 -179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.803 HD11 ' HE2' ' A' ' 27' ' ' TYR . 38.6 mt -60.19 -44.08 95.37 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.516 HD13 ' CH2' ' A' ' 12' ' ' TRP . 10.3 mt -87.24 150.84 23.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.444 ' CE1' ' HG2' ' A' ' 41' ' ' ARG . 13.6 t-80 -100.77 137.65 38.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.83 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.444 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 1.6 mmp_? 67.64 34.94 4.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.847 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -136.18 151.15 49.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.899 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.406 ' O ' ' C ' ' A' ' 44' ' ' ALA . 73.2 m -126.84 153.61 45.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.41 ' HB2' ' HA ' ' A' ' 33' ' ' SER . . . -37.44 -47.93 0.91 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.175 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -49.55 -57.06 7.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.465 ' NE2' ' HA3' ' A' ' 9' ' ' GLY . 15.7 mm100 -55.68 -58.94 5.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 92.8 m -46.41 -39.81 11.12 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 39.4 tttm -70.36 -39.81 74.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -72.99 -65.29 0.82 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.098 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.507 ' HG2' ' CD2' ' A' ' 12' ' ' TRP . 6.4 tpt180 -43.29 -34.16 1.14 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.875 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.542 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 13.0 t-105 -74.01 -70.62 0.38 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.41 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 15.1 m-85 -57.16 -13.74 3.34 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.95 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.418 ' O ' ' CE3' ' A' ' 54' ' ' TRP . 14.8 mt-10 -75.65 -51.53 12.58 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.418 ' CE3' ' O ' ' A' ' 53' ' ' GLU . 4.9 m95 -127.85 -41.88 1.62 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.614 HD13 ' HG3' ' A' ' 21' ' ' LYS . 0.9 OUTLIER -85.23 90.76 7.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.883 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.417 ' CG ' ' HD2' ' A' ' 57' ' ' PRO . 18.9 t70 -171.55 139.91 1.18 Allowed Pre-proline 0 C--N 1.328 -0.364 0 CA-C-O 121.612 0.72 . . . . 0.0 110.847 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.417 ' HD2' ' CG ' ' A' ' 56' ' ' ASP . 53.8 Cg_endo -69.78 -49.14 0.59 Allowed 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.698 2.265 . . . . 0.0 112.323 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 28.9 m -39.78 -35.14 0.31 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.812 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 80.1 mt -46.82 136.36 2.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.48 102.45 3.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.938 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.5 mmpt? -116.73 157.6 25.21 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.488 HG21 ' CA ' ' A' ' 70' ' ' GLY . 24.3 p -121.21 119.51 32.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.146 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -69.65 153.36 43.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 2.2 t90 -59.21 -49.14 79.0 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.3 t -77.09 147.92 36.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 124.36 145.98 6.8 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.513 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.72 -7.79 21.94 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.697 2.264 . . . . 0.0 112.415 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 38.3 m -105.59 123.09 47.34 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.821 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 8.0 t -77.46 -50.93 11.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.488 ' CA ' HG21 ' A' ' 62' ' ' THR . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.481 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.55 -0.22 . . . . 0.0 112.55 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 1' ' ' GLY . 4.7 m 36.32 43.85 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.837 0.351 . . . . 0.0 110.849 -179.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.3 p -71.97 -25.22 61.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.853 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -79.21 134.89 14.41 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.497 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 t -91.41 168.61 11.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.907 0.384 . . . . 0.0 110.874 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.5 p -80.96 130.69 35.14 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.868 -179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.59 173.82 20.43 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.491 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.6 mtmt -150.28 132.21 15.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.841 0.353 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -166.16 -64.65 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.497 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 129.93 121.86 2.37 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.464 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 36.9 t -79.03 144.18 11.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.797 0.332 . . . . 0.0 111.153 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.639 ' CH2' HD13 ' A' ' 39' ' ' LEU . 52.8 m95 -140.3 147.59 40.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.905 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 53.8 mtt85 -127.31 164.87 20.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.835 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -44.65 -46.19 10.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.883 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 34.3 p -60.4 -56.43 21.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.184 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.469 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 41.8 mt-10 -48.66 -46.8 40.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.644 ' OD1' HD11 ' A' ' 55' ' ' LEU . 8.7 m-20 -60.1 -48.89 79.85 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -54.3 -54.44 40.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 26.5 mt -56.7 -58.49 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.13 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.759 ' O ' HG23 ' A' ' 24' ' ' VAL . 22.8 tp -50.51 -55.31 16.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.959 179.893 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.575 ' HG3' HD13 ' A' ' 55' ' ' LEU . 26.9 mtpt -45.61 -53.23 9.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.87 179.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.404 ' O ' ' N ' ' A' ' 25' ' ' MET . . . -63.5 -60.92 2.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.105 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -38.98 -51.58 1.8 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.759 HG23 ' O ' ' A' ' 20' ' ' LEU . 58.3 t -48.06 -39.54 8.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.122 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.404 ' N ' ' O ' ' A' ' 22' ' ' ALA . 10.1 mmt -76.74 -34.24 58.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.521 ' HD3' ' CE1' ' A' ' 27' ' ' TYR . 45.8 tttm -73.09 -64.26 1.01 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.521 ' CE1' ' HD3' ' A' ' 26' ' ' LYS . 86.5 m-85 -77.33 -31.99 54.94 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.913 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.495 ' CA ' ' O ' ' A' ' 24' ' ' VAL . . . 113.02 173.73 18.9 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.456 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.462 ' O ' ' NE1' ' A' ' 32' ' ' TRP . 43.1 mttt -86.62 18.62 3.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.8 0.333 . . . . 0.0 110.892 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 -116.17 -29.79 6.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.0 mm100 -83.71 39.06 0.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.476 ' CZ3' HG22 ' A' ' 24' ' ' VAL . 54.9 m95 -55.38 -40.87 71.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.615 ' HA ' ' HB2' ' A' ' 44' ' ' ALA . 4.4 t -63.21 -48.36 78.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 35.1 ttt85 -64.4 -43.91 92.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.427 HG21 HD12 ' A' ' 20' ' ' LEU . 97.8 mt -55.62 -47.31 79.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.139 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -45.37 -43.86 11.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.114 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 54.5 m -47.57 -41.63 21.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.4 mt -56.03 -45.87 79.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.921 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.639 HD13 ' CH2' ' A' ' 12' ' ' TRP . 8.0 mt -86.45 131.46 34.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.92 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 9.2 t-160 -76.65 134.16 39.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.856 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 27.1 mtm180 67.06 40.16 2.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.856 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.539 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 33.5 mmtm -138.16 138.26 38.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 44' ' ' ALA . 7.9 t -117.69 155.75 29.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.901 -179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.615 ' HB2' ' HA ' ' A' ' 33' ' ' SER . . . -35.88 -59.99 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.068 179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.5 tppt? -38.02 -61.79 0.62 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.416 ' N ' ' CD ' ' A' ' 46' ' ' GLN . 0.9 OUTLIER -47.71 -61.95 1.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 70.9 m -41.19 -43.51 2.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.877 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -72.58 -40.64 66.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -69.86 -65.29 0.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.113 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.517 ' HG2' ' CD2' ' A' ' 12' ' ' TRP . 6.5 tpt180 -43.55 -39.51 3.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.481 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 24.2 t-105 -66.11 -73.03 0.14 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.957 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -53.69 -19.2 3.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -67.76 -55.52 12.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 5.1 m95 -127.97 -40.22 1.71 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.943 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.644 HD11 ' OD1' ' A' ' 17' ' ' ASP . 1.1 mt -83.15 93.09 7.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.43 ' CG ' ' HD2' ' A' ' 57' ' ' PRO . 10.6 t70 -173.75 139.94 0.8 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.667 0.746 . . . . 0.0 110.832 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.43 ' HD2' ' CG ' ' A' ' 56' ' ' ASP . 54.1 Cg_endo -69.73 -49.72 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.68 2.253 . . . . 0.0 112.393 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 72.6 m -39.4 -37.53 0.46 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.819 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.409 HD12 ' O ' ' A' ' 56' ' ' ASP . 70.6 mt -44.69 139.71 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.121 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.0 mtpt -62.83 107.93 1.08 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.873 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 31.1 mttm -131.18 176.03 8.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.422 HG23 ' N ' ' A' ' 63' ' ' GLU . 8.9 t -123.46 -41.76 2.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.112 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.422 ' N ' HG23 ' A' ' 62' ' ' THR . 20.2 mt-10 -43.3 -55.25 4.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.867 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 5.1 m0 47.69 41.54 13.92 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.9 m -65.08 -45.37 85.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.881 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 95.7 153.22 29.85 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.475 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 101.55 0.92 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.666 2.244 . . . . 0.0 112.346 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 29.6 t -130.5 117.57 19.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 2.3 t -131.09 102.73 6.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.486 -179.984 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.4 t -138.57 121.13 16.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.9 0.381 . . . . 0.0 110.887 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.5 m -92.61 171.36 9.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.4 -146.18 5.38 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.51 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.9 p -91.47 119.19 31.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.916 0.388 . . . . 0.0 110.845 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.7 m -112.03 122.07 46.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.31 165.57 13.65 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.466 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -124.5 144.69 49.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.871 0.367 . . . . 0.0 110.854 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.446 ' O ' ' C ' ' A' ' 10' ' ' GLY . . . 65.38 85.2 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.489 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 9' ' ' GLY . . . -34.28 -86.05 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.473 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.438 ' O ' ' CD1' ' A' ' 12' ' ' TRP . 12.2 p -174.88 145.97 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.812 0.339 . . . . 0.0 111.127 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.566 ' CZ2' ' HD2' ' A' ' 42' ' ' LYS . 62.4 m95 -152.63 140.51 20.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.875 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 38.5 mtp85 -121.66 161.38 22.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.867 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -40.83 -39.64 1.17 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 26.1 p -66.51 -57.43 7.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.424 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 32.0 mt-10 -48.92 -43.21 39.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.72 -47.07 82.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.862 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -57.84 -49.38 76.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.902 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.9 mt -60.22 -56.14 19.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.101 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.502 HD12 HG21 ' A' ' 35' ' ' ILE . 18.1 tp -55.12 -58.3 8.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.826 ' HE2' HD22 ' A' ' 55' ' ' LEU . 49.0 mttt -42.47 -59.21 1.94 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.931 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.82 -61.13 2.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.095 179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -46.07 -51.08 14.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.094 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.645 HG13 ' HG3' ' A' ' 29' ' ' LYS . 55.1 t -51.96 -26.24 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.14 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.6 mmt -84.68 -28.62 26.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.413 ' HD3' ' CE1' ' A' ' 27' ' ' TYR . 19.2 tttp -88.24 -60.85 1.85 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.904 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.413 ' CE1' ' HD3' ' A' ' 26' ' ' LYS . 32.1 m-85 -74.97 -30.8 61.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 98.66 177.87 32.41 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.472 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.645 ' HG3' HG13 ' A' ' 24' ' ' VAL . 0.8 OUTLIER -91.23 35.99 0.93 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.783 0.325 . . . . 0.0 110.891 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 -124.82 -32.04 3.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.873 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -91.41 38.62 0.98 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.608 ' CZ3' HG22 ' A' ' 24' ' ' VAL . 45.3 m95 -52.04 -36.01 48.93 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.946 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.523 ' HA ' ' HB2' ' A' ' 44' ' ' ALA . 44.8 m -62.96 -43.95 97.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.841 -179.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 53.3 ttt180 -71.54 -52.11 19.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.882 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.502 HG21 HD12 ' A' ' 20' ' ' LEU . 71.7 mt -44.46 -49.13 2.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.119 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -45.89 -42.04 12.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.14 179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 5.0 t -47.46 -40.41 18.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 19.7 mt -54.36 -47.15 72.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.425 HD11 ' HB2' ' A' ' 20' ' ' LEU . 5.1 mt -93.26 162.12 14.13 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.951 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.46 ' O ' ' N ' ' A' ' 42' ' ' LYS . 0.7 OUTLIER -104.74 172.75 6.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.852 179.887 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 24.5 mtt180 40.08 25.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.84 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.566 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 31.0 mmtt -122.98 158.78 29.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 44' ' ' ALA . 60.6 p -139.25 149.16 43.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.905 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.523 ' HB2' ' HA ' ' A' ' 33' ' ' SER . . . -35.57 -44.54 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.128 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.44 -59.3 3.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.938 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 20.7 mm-40 -55.4 -57.89 10.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.928 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 87.4 m -45.49 -37.72 5.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.911 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 51.9 tttt -76.08 -41.65 49.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -74.67 -65.22 0.89 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.086 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.516 ' HG2' ' CE2' ' A' ' 12' ' ' TRP . 7.2 tpt180 -42.26 -39.29 2.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 -179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.548 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 14.1 t-105 -68.62 -71.86 0.2 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.43 ' CD1' ' CD1' ' A' ' 51' ' ' TRP . 15.4 m-85 -56.42 -13.61 2.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.93 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -74.1 -54.64 7.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.885 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 4.6 m95 -127.08 -31.17 2.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.826 HD22 ' HE2' ' A' ' 21' ' ' LYS . 1.1 mt -93.39 91.37 7.14 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -171.44 143.14 1.48 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.571 0.7 . . . . 0.0 110.868 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 -50.81 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.646 2.231 . . . . 0.0 112.352 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 2.1 m -43.26 -31.68 0.66 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 -179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 66.6 mt -44.98 137.75 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.115 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 8.2 ptmt -95.64 82.8 3.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -128.33 -58.48 1.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 37.5 p -74.69 85.69 2.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.125 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -80.62 100.42 8.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.888 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -91.29 169.79 10.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.934 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 96.9 p -121.18 167.1 13.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 169.3 83.35 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.45 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.413 ' O ' ' C ' ' A' ' 68' ' ' SER . 54.4 Cg_endo -69.73 166.33 27.93 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.707 2.271 . . . . 0.0 112.33 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 67' ' ' PRO . 1.1 t -37.28 137.02 0.41 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.823 -179.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 13.4 m -76.2 99.46 4.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.895 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.561 -179.998 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.8 p -131.71 173.64 10.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.897 0.38 . . . . 0.0 110.843 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.2 t -92.38 114.81 27.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.883 -179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.67 -52.46 0.83 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.465 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 t -71.51 82.4 0.81 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.863 0.363 . . . . 0.0 110.838 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.1 m -105.91 160.92 14.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.9 164.42 13.24 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.497 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 8.0 ttpm? -82.67 -44.42 15.73 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.803 0.335 . . . . 0.0 110.849 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -162.41 93.87 0.12 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.476 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -160.91 77.53 0.17 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.45 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.594 ' O ' ' CD1' ' A' ' 12' ' ' TRP . 7.4 p -174.96 141.01 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.841 0.353 . . . . 0.0 111.147 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.617 ' CH2' HD13 ' A' ' 39' ' ' LEU . 45.2 m95 -156.63 155.63 32.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.911 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 14' ' ' ASN . 19.7 mtp180 -124.64 149.83 46.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.823 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.45 ' ND2' HG23 ' A' ' 15' ' ' THR . 2.0 p-10 -34.71 -56.65 0.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.913 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.45 HG23 ' ND2' ' A' ' 14' ' ' ASN . 22.4 p -54.56 -65.18 0.62 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.144 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.44 ' HA ' HD12 ' A' ' 19' ' ' ILE . 39.8 mt-10 -39.35 -41.5 0.93 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.922 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.24 -45.3 85.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.835 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -57.82 -40.86 80.99 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.853 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.44 HD12 ' HA ' ' A' ' 16' ' ' GLU . 17.9 mt -65.39 -50.19 74.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.15 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.773 HD23 HD12 ' A' ' 55' ' ' LEU . 36.5 tp -54.66 -65.32 0.6 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.492 ' HZ2' HD22 ' A' ' 55' ' ' LEU . 9.6 mtmm -39.81 -58.61 1.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.867 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.1 -61.65 2.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.136 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.91 -54.92 4.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.069 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 20' ' ' LEU . 67.8 t -50.89 -33.11 12.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.143 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 8.6 mmt -78.11 -26.55 48.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.916 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 81.8 tttt -88.93 -65.05 1.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.903 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.668 ' HE2' HD11 ' A' ' 38' ' ' LEU . 5.5 m-85 -69.45 -35.03 75.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.989 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 103.67 -175.14 23.21 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.475 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.6 mttm -91.7 37.58 0.97 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.837 0.351 . . . . 0.0 110.892 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -128.78 -37.87 1.72 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -85.25 42.38 0.94 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.927 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 52.5 m95 -57.65 -37.53 73.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.936 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.458 ' HA ' ' HB2' ' A' ' 44' ' ' ALA . 54.5 p -63.01 -50.78 69.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -60.66 -47.54 85.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.579 HG21 HD12 ' A' ' 20' ' ' LEU . 77.4 mt -47.84 -50.23 9.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.107 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.751 ' HB1' ' O ' ' A' ' 42' ' ' LYS . . . -49.16 -35.25 16.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.101 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 8.5 t -56.15 -37.81 70.02 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.88 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.668 HD11 ' HE2' ' A' ' 27' ' ' TYR . 21.3 mt -60.2 -46.83 88.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.947 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.617 HD13 ' CH2' ' A' ' 12' ' ' TRP . 3.8 mt -83.68 157.95 22.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.501 ' CE1' ' HE ' ' A' ' 41' ' ' ARG . 16.8 t-160 -100.75 132.99 45.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.834 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.501 ' HE ' ' CE1' ' A' ' 40' ' ' HIS . 39.2 mtt180 66.52 34.24 6.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.751 ' O ' ' HB1' ' A' ' 36' ' ' ALA . 39.4 mmtt -139.08 123.16 17.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 6.3 t -104.32 174.11 6.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.832 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.458 ' HB2' ' HA ' ' A' ' 33' ' ' SER . . . -48.08 -52.13 21.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.086 179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.5 mmmt -47.06 -59.09 3.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.542 ' NE2' ' NZ ' ' A' ' 42' ' ' LYS . 73.5 mt-30 -55.91 -49.83 72.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 65.2 m -53.56 -42.41 67.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.89 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 11.0 tttm -72.64 -39.4 67.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.913 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.51 -63.81 1.01 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.107 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.516 ' HG2' ' CE2' ' A' ' 12' ' ' TRP . 5.3 tpt180 -51.16 -38.3 51.33 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.551 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 20.2 t-105 -67.34 -69.17 0.33 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -57.32 -21.64 36.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.925 -179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -64.65 -54.57 29.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.494 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 4.3 m95 -127.84 -41.49 1.65 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.93 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.773 HD12 HD23 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -80.38 88.85 5.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.958 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -174.96 139.22 0.62 Allowed Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.657 0.741 . . . . 0.0 110.835 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 -48.65 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.667 2.244 . . . . 0.0 112.339 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 59' ' ' ILE . 1.9 t -44.3 -40.49 5.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.494 ' CD1' ' O ' ' A' ' 54' ' ' TRP . 99.6 mt -35.3 135.56 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.127 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 54.7 mttt -92.3 114.35 26.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.91 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 31.3 mtmt -112.38 173.0 6.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 22.3 p -114.91 40.37 2.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.131 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -131.81 142.67 49.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.905 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 12.6 m95 -50.98 106.91 0.14 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 47.1 t -165.66 113.69 0.96 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.887 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -156.75 -95.02 0.1 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.478 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 170.89 15.51 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.694 2.262 . . . . 0.0 112.351 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 69' ' ' SER . 59.1 p 44.31 43.76 6.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.862 -179.833 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 68' ' ' SER . 7.0 m -36.45 139.49 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.858 -179.832 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.456 179.96 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.8 t -64.27 -45.44 88.04 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.861 0.362 . . . . 0.0 110.822 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -150.13 128.67 12.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.862 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.39 80.63 0.33 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.475 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.0 p -124.21 104.96 9.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.907 0.385 . . . . 0.0 110.879 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -165.14 157.81 16.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.916 -179.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.65 -159.53 24.13 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.464 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.5 tttp 42.11 41.39 2.01 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.797 0.332 . . . . 0.0 110.846 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 118.44 -173.74 15.01 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.473 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -120.57 134.49 10.34 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.486 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.62 HG12 ' N ' ' A' ' 12' ' ' TRP . 60.0 t -63.95 165.05 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.824 0.345 . . . . 0.0 111.115 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.62 ' N ' HG12 ' A' ' 11' ' ' VAL . 17.1 m95 -141.96 149.67 40.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 36.1 mtm-85 -118.49 160.03 22.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.878 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 26.7 p-10 -46.69 -51.55 15.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 19.6 p -57.13 -58.15 9.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.131 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.491 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 6.9 mm-40 -45.31 -39.47 6.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -67.28 -46.5 73.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -54.69 -46.72 74.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.859 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.546 ' HB ' HD21 ' A' ' 39' ' ' LEU . 20.2 mt -62.32 -46.14 97.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.145 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.615 HD23 HD12 ' A' ' 55' ' ' LEU . 37.1 tp -60.43 -58.01 10.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.547 ' HG3' HD13 ' A' ' 55' ' ' LEU . 24.8 mtmt -45.0 -52.99 8.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -60.22 -60.67 3.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.075 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -44.41 -46.87 9.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.104 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 20' ' ' LEU . 80.8 t -55.37 -32.38 29.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.151 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 11.9 mmt -78.98 -33.87 44.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.888 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.3 tttt -81.03 -63.92 1.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.901 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.418 ' CE1' HD11 ' A' ' 38' ' ' LEU . 74.4 m-85 -71.26 -33.18 69.56 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 105.83 174.6 23.78 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.806 -0.711 . . . . 0.0 112.521 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 49.1 mttt -88.83 30.68 0.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.766 0.317 . . . . 0.0 110.883 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 -126.39 -28.86 3.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -89.66 40.32 0.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.413 ' CZ3' HG22 ' A' ' 24' ' ' VAL . 51.2 m95 -52.76 -37.2 59.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.446 ' HA ' ' HB2' ' A' ' 44' ' ' ALA . 2.6 m -63.22 -50.33 70.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.847 -179.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 29.7 ttt85 -63.07 -46.22 88.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.88 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.545 HG21 HD12 ' A' ' 20' ' ' LEU . 89.4 mt -51.02 -44.59 28.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.16 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.62 -41.13 41.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.079 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 30.9 t -52.11 -39.97 60.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.843 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.418 HD11 ' CE1' ' A' ' 27' ' ' TYR . 32.6 mt -58.86 -44.79 91.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.546 HD21 ' HB ' ' A' ' 19' ' ' ILE . 8.5 mt -87.04 133.99 33.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 13.8 t-160 -82.12 133.5 35.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.893 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 6.9 mmm180 68.66 41.06 1.71 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.9 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.572 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 21.4 mmtt -141.24 148.27 39.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.964 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 45.0 t -127.03 160.71 30.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.794 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.446 ' HB2' ' HA ' ' A' ' 33' ' ' SER . . . -42.96 -43.58 4.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.132 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.419 ' C ' ' HD3' ' A' ' 45' ' ' LYS . 11.2 tmtt? -51.56 -58.62 5.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.926 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 17.2 mp0 -58.14 -46.26 85.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.922 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 84.0 m -55.85 -44.65 78.23 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.2 tttt -69.47 -49.45 54.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.62 -65.24 0.71 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.044 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.509 ' HG2' ' CD2' ' A' ' 12' ' ' TRP . 10.4 tpt180 -40.23 -43.61 1.72 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.886 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.543 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 28.3 t-105 -63.73 -70.9 0.19 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 42.7 m-85 -56.21 -15.1 3.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 -179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -72.33 -55.56 6.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.899 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.463 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 5.4 m95 -127.8 -38.98 1.83 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.615 HD12 HD23 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -85.08 90.6 7.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.494 ' OD1' ' N ' ' A' ' 58' ' ' SER . 0.5 OUTLIER -166.79 142.41 3.63 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.634 0.731 . . . . 0.0 110.828 179.858 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -50.81 0.42 Allowed 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.645 2.23 . . . . 0.0 112.344 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.494 ' N ' ' OD1' ' A' ' 56' ' ' ASP . 2.8 m -41.44 -41.57 2.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.853 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.543 HG22 ' H ' ' A' ' 61' ' ' LYS . 48.2 mt -36.31 145.31 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.15 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.427 ' HD2' ' C ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -98.41 33.38 2.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 179.874 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.543 ' H ' HG22 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -103.15 146.1 28.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 179.898 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 13.8 t -53.14 134.52 38.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.135 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -88.46 153.35 21.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.453 ' CD1' ' N ' ' A' ' 64' ' ' TRP . 0.0 OUTLIER -49.55 103.11 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.922 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 15.9 t -84.69 126.49 33.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.826 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -134.57 -94.73 0.5 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.46 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.443 ' O ' ' C ' ' A' ' 68' ' ' SER . 53.9 Cg_endo -69.73 0.88 4.99 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.625 2.217 . . . . 0.0 112.366 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . 0.443 ' C ' ' O ' ' A' ' 67' ' ' PRO . 22.4 m -34.52 121.47 0.5 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 70' ' ' GLY . 50.0 m -37.29 108.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.844 -179.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 69' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.362 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.479 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.2 t -106.51 -47.94 3.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.834 0.35 . . . . 0.0 110.858 -179.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 79.8 p -97.68 -33.04 11.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.864 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 41.58 -164.47 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.499 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 51.9 m -96.28 106.85 19.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.923 0.392 . . . . 0.0 110.798 -179.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.5 p -121.91 43.91 2.72 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.86 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 41.36 67.56 0.77 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.514 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -52.58 122.85 9.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.832 0.349 . . . . 0.0 110.862 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -111.72 96.16 0.85 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.495 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -64.61 -138.86 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.472 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 39.5 t -123.23 149.42 27.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.821 0.343 . . . . 0.0 111.093 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.572 ' CZ2' ' HD2' ' A' ' 42' ' ' LYS . 32.9 m95 -146.15 139.78 26.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.91 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.7 mtt85 -113.31 163.22 15.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.874 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -50.07 -46.77 53.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.926 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.0 p -60.38 -50.29 74.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.154 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.523 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 7.1 mm-40 -52.51 -40.91 62.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.882 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -67.66 -41.6 83.51 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -59.88 -45.77 91.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.93 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 31.7 mt -64.24 -49.04 82.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.09 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.511 HD12 HG21 ' A' ' 35' ' ' ILE . 31.3 tp -59.36 -59.49 5.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.893 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.59 ' HG3' HD13 ' A' ' 55' ' ' LEU . 18.6 mtpp -41.69 -55.57 2.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.81 -59.35 5.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.12 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -44.82 -53.66 7.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.07 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.45 HG22 ' CZ3' ' A' ' 32' ' ' TRP . 73.8 t -49.74 -29.56 4.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.096 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 7.6 mmt -81.49 -35.76 30.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.507 ' HD3' ' CE1' ' A' ' 27' ' ' TYR . 24.5 tttt -78.75 -61.3 2.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.507 ' CE1' ' HD3' ' A' ' 26' ' ' LYS . 56.6 m-85 -73.56 -29.81 62.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.912 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 101.28 175.66 28.83 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.524 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 15.1 mtpt -89.59 36.05 0.84 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.794 0.33 . . . . 0.0 110.898 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -127.62 -33.77 2.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -86.58 39.49 0.84 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.907 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.45 ' CZ3' HG22 ' A' ' 24' ' ' VAL . 56.4 m95 -52.67 -37.18 58.3 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.457 ' HA ' ' HB2' ' A' ' 44' ' ' ALA . 85.1 p -63.24 -48.38 78.47 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.835 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 27.9 ttt-85 -66.67 -48.26 69.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.86 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.511 HG21 HD12 ' A' ' 20' ' ' LEU . 83.0 mt -48.25 -44.12 12.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.152 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -53.19 -43.83 67.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.076 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 3.4 t -48.85 -41.36 32.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 20.6 mt -54.54 -50.39 68.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.87 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.435 HD13 ' CH2' ' A' ' 12' ' ' TRP . 3.3 mt -82.03 137.04 35.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.916 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.518 ' CE1' ' NH1' ' A' ' 41' ' ' ARG . 17.4 t-160 -81.22 134.95 35.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.518 ' NH1' ' CE1' ' A' ' 40' ' ' HIS . 27.3 mtm-85 65.8 42.7 3.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.572 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 20.9 mmtp -141.32 146.64 36.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.921 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 58.2 m -126.08 165.75 18.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.83 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.457 ' HB2' ' HA ' ' A' ' 33' ' ' SER . . . -49.51 -43.99 45.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.09 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -50.76 -58.01 6.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.868 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -60.07 -47.38 86.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.913 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 68.9 m -54.16 -39.75 66.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.0 tttm -75.15 -47.92 26.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.5 -63.88 0.99 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.137 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.442 ' NH2' ' HB3' ' A' ' 12' ' ' TRP . 5.5 tpt180 -42.15 -42.38 2.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.865 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.511 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 8.3 t-105 -66.86 -70.74 0.23 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.476 ' N ' ' CD1' ' A' ' 51' ' ' TRP . 46.8 m-85 -54.62 -16.19 2.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.947 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -72.82 -54.76 7.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.847 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.414 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 5.3 m95 -125.7 -37.1 2.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.59 HD13 ' HG3' ' A' ' 21' ' ' LYS . 1.0 OUTLIER -86.93 86.26 7.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -164.13 136.29 3.77 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.6 0.714 . . . . 0.0 110.853 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -45.43 1.6 Allowed 'Trans proline' 0 C--O 1.231 0.146 0 C-N-CA 122.738 2.292 . . . . 0.0 112.311 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 51.9 m -49.9 -26.7 4.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.794 HG22 ' H ' ' A' ' 61' ' ' LYS . 88.9 mt -43.98 137.77 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.123 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.435 ' O ' ' C ' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -87.39 29.7 0.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.901 179.856 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.794 ' H ' HG22 ' A' ' 59' ' ' ILE . 7.8 mmpt? 34.63 44.94 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.856 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.425 ' C ' ' O ' ' A' ' 61' ' ' LYS . 4.6 t -36.12 -30.66 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.153 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.483 ' N ' ' O ' ' A' ' 61' ' ' LYS . 20.4 tt0 -110.89 117.83 34.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.426 ' O ' ' C ' ' A' ' 65' ' ' SER . 12.5 m95 -88.39 -44.34 10.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 64' ' ' TRP . 7.5 t -36.26 -51.59 0.78 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.839 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -106.59 83.81 0.36 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.51 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.402 ' HD3' ' O ' ' A' ' 65' ' ' SER . 53.1 Cg_endo -69.8 -18.11 37.01 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.654 2.236 . . . . 0.0 112.35 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 52.5 p 46.11 45.05 12.41 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.854 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 49.4 p -141.88 170.45 15.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.874 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.485 179.973 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.1 m -129.93 101.39 5.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.9 0.381 . . . . 0.0 110.859 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 m 61.09 42.6 12.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.85 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 5' ' ' SER . . . -71.06 94.38 0.53 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.484 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.444 ' O ' ' C ' ' A' ' 6' ' ' SER . 57.1 p -34.79 -55.12 0.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.881 0.372 . . . . 0.0 110.836 -179.764 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 5' ' ' SER . 34.4 p -34.87 140.01 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.824 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.32 63.53 0.35 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.449 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.3 mttp -50.52 98.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.814 0.34 . . . . 0.0 110.88 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 122.02 174.09 14.54 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.45 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.8 -87.65 1.17 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.504 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.9 p -70.27 147.24 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.815 0.341 . . . . 0.0 111.128 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.681 ' CH2' HD22 ' A' ' 20' ' ' LEU . 9.2 m95 -145.79 135.45 23.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.928 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.3 mtm180 -94.33 149.28 21.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.863 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.7 t30 -44.6 -47.13 10.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 25.7 p -56.42 -56.51 20.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.123 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 93.3 mt-10 -53.15 -42.29 65.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.846 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -64.46 -44.55 90.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -59.27 -46.43 88.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 35.1 mt -65.25 -44.33 95.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.097 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.681 HD22 ' CH2' ' A' ' 12' ' ' TRP . 43.1 tp -59.87 -62.39 1.91 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.925 179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.521 ' HG3' HD13 ' A' ' 55' ' ' LEU . 22.5 mtmt -41.43 -52.58 3.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.858 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.98 -63.97 1.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.127 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.489 ' HB1' HG12 ' A' ' 35' ' ' ILE . . . -43.86 -47.91 8.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.131 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.555 HG22 ' CZ3' ' A' ' 32' ' ' TRP . 53.3 t -55.06 -31.76 26.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.107 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 21.8 mmt -80.23 -33.35 38.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 37.6 tttp -77.96 -62.51 1.65 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.875 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 57.2 m-85 -75.84 -34.29 60.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 110.42 173.07 20.18 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.491 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.446 ' HG3' ' CG1' ' A' ' 24' ' ' VAL . 3.4 mtmp? -85.31 28.68 0.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.816 0.341 . . . . 0.0 110.892 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -126.49 -28.05 3.08 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.448 ' NE2' ' HE ' ' A' ' 34' ' ' ARG . 7.0 mm100 -87.13 37.32 0.76 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.888 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.598 ' CD1' ' HE3' ' A' ' 48' ' ' LYS . 57.1 m95 -50.06 -63.59 1.07 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.92 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 46.4 t -40.9 -41.51 1.63 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.86 -179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.448 ' HE ' ' NE2' ' A' ' 31' ' ' GLN . 14.5 ttm-85 -68.64 -42.01 78.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.579 HG21 HD12 ' A' ' 20' ' ' LEU . 71.9 mt -64.97 -52.27 55.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -40.38 -43.44 1.78 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.104 179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 30.0 t -51.14 -40.83 59.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.428 HD12 HG23 ' A' ' 35' ' ' ILE . 16.3 mt -55.23 -47.41 75.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.895 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.7 mt -87.37 152.14 22.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.486 ' CE1' ' HG3' ' A' ' 41' ' ' ARG . 10.0 t-160 -92.93 140.95 28.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.877 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.486 ' HG3' ' CE1' ' A' ' 40' ' ' HIS . 24.5 mtm180 62.24 41.37 10.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.88 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.409 ' HE3' ' NE1' ' A' ' 12' ' ' TRP . 44.8 mmtm -140.91 141.09 34.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.422 ' O ' ' C ' ' A' ' 44' ' ' ALA . 40.8 t -124.53 155.65 38.64 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.83 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.422 ' C ' ' O ' ' A' ' 43' ' ' SER . . . -36.01 -51.72 0.73 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.141 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.407 ' C ' ' HD2' ' A' ' 45' ' ' LYS . 0.0 OUTLIER -46.11 -56.55 5.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -53.82 -56.94 13.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.912 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 67.0 m -46.43 -46.2 18.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.598 ' HE3' ' CD1' ' A' ' 32' ' ' TRP . 7.8 ttmt -64.82 -53.61 44.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -59.07 -65.28 0.69 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.086 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.431 ' HG2' ' CE2' ' A' ' 12' ' ' TRP . 10.1 tpt180 -44.1 -38.2 3.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.858 -179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.542 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 40.6 t-105 -65.99 -67.79 0.42 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -59.19 -16.45 20.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.966 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -70.21 -56.71 6.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.844 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.402 ' CD1' ' NH1' ' A' ' 50' ' ' ARG . 5.7 m95 -128.04 -40.71 1.66 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.542 ' O ' ' CD2' ' A' ' 51' ' ' TRP . 0.8 OUTLIER -84.41 85.24 7.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.953 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' A' ' 58' ' ' SER . 1.2 t0 -165.78 133.17 2.25 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.622 0.725 . . . . 0.0 110.837 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.454 ' N ' ' OD1' ' A' ' 56' ' ' ASP . 53.5 Cg_endo -69.79 -44.56 1.99 Allowed 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.646 2.231 . . . . 0.0 112.318 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.491 ' N ' ' OD1' ' A' ' 56' ' ' ASP . 13.0 m -49.2 -34.45 14.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.869 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.456 HD12 ' O ' ' A' ' 56' ' ' ASP . 91.4 mt -35.37 144.31 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.13 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 43.5 mmtt -80.57 42.79 0.62 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.912 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.8 mmmm -124.77 168.13 13.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.9 t -91.54 132.29 36.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.125 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -137.12 153.46 50.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -120.54 40.97 3.37 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.95 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 29.6 p -89.09 -39.99 13.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 155.82 147.57 4.77 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.48 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -0.13 6.49 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.709 2.273 . . . . 0.0 112.331 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.2 t -92.57 84.45 5.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.846 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 43.9 t -99.19 79.86 2.38 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.884 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.465 -179.976 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 N-CA-C 112.461 -0.255 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -114.85 -53.97 2.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.916 0.388 . . . . 0.0 110.861 -179.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.6 m -38.71 -50.98 1.68 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 152.96 -77.9 0.21 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.5 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -107.2 97.81 7.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.914 0.388 . . . . 0.0 110.845 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.8 p -150.34 144.29 25.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 -179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.87 70.62 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.478 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -133.23 139.13 46.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.832 0.349 . . . . 0.0 110.879 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -139.05 74.74 0.39 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.52 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -158.73 32.87 0.48 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.496 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.599 ' O ' ' CD1' ' A' ' 12' ' ' TRP . 7.4 p -152.99 151.84 11.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.8 0.333 . . . . 0.0 111.117 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.599 ' CD1' ' O ' ' A' ' 11' ' ' VAL . 57.0 m95 -157.23 140.52 15.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.41 ' O ' ' C ' ' A' ' 14' ' ' ASN . 15.4 mmm180 -112.48 154.56 25.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.41 ' C ' ' O ' ' A' ' 13' ' ' ARG . 10.6 p-10 -36.21 -55.93 0.77 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.92 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 36.2 p -55.83 -63.84 1.05 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.144 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.441 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 7.1 mm-40 -39.21 -43.64 1.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.849 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.18 -46.2 78.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.84 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 26.2 mm-40 -56.28 -49.99 72.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.455 ' HB ' HD21 ' A' ' 39' ' ' LEU . 22.6 mt -56.83 -57.17 10.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.139 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.491 ' O ' HG23 ' A' ' 24' ' ' VAL . 13.4 tp -51.05 -58.62 5.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.908 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.598 ' HE2' HD22 ' A' ' 55' ' ' LEU . 12.8 mttm -39.98 -59.83 1.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 25' ' ' MET . . . -56.12 -61.4 2.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.059 179.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -38.96 -56.02 1.46 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.075 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 20' ' ' LEU . 61.9 t -50.95 -34.99 14.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.099 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.417 ' N ' ' O ' ' A' ' 22' ' ' ALA . 6.4 mmt -76.83 -29.65 56.01 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.91 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 48.5 tttt -85.33 -65.09 1.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.916 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 63.4 m-85 -69.05 -32.92 72.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.55 170.67 26.75 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.528 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -82.64 40.26 0.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.836 0.35 . . . . 0.0 110.924 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -132.07 -37.09 1.14 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.948 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -85.3 39.1 0.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.898 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.425 ' CZ3' HG22 ' A' ' 24' ' ' VAL . 52.7 m95 -52.14 -40.92 62.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.889 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 30.1 t -64.26 -44.08 92.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.879 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.5 ttt85 -67.61 -38.21 83.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.849 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.432 HG21 HD12 ' A' ' 20' ' ' LEU . 85.7 mt -60.72 -44.85 98.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.161 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.408 ' HB1' ' O ' ' A' ' 42' ' ' LYS . . . -50.52 -45.15 56.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.147 179.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 15.9 m -47.87 -41.21 23.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.892 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 18.0 mt -55.55 -45.78 77.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.909 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.455 HD21 ' HB ' ' A' ' 19' ' ' ILE . 5.9 mt -87.61 153.03 21.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.925 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.534 ' CE1' ' HG3' ' A' ' 41' ' ' ARG . 9.7 t-160 -96.65 139.14 33.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.534 ' HG3' ' CE1' ' A' ' 40' ' ' HIS . 31.4 mtm180 63.21 33.29 14.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.408 ' O ' ' HB1' ' A' ' 36' ' ' ALA . 29.0 mmtp -137.03 132.72 34.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.899 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.5 t -116.73 165.15 13.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -41.19 -42.91 2.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.086 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -57.24 -46.78 82.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 10.4 mm100 -64.75 -54.52 30.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.899 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 90.0 m -54.95 -43.58 73.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.871 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 43.2 tttt -68.71 -39.31 80.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.83 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -70.11 -65.27 0.75 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.098 179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.501 ' HG2' ' CD2' ' A' ' 12' ' ' TRP . 7.2 tpt180 -46.13 -34.75 4.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.548 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 41.2 t-105 -69.55 -73.15 0.16 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.928 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -54.11 -20.74 7.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.938 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -64.97 -61.71 2.0 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.864 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.493 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 4.2 m95 -122.67 -39.58 2.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.906 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.598 HD22 ' HE2' ' A' ' 21' ' ' LYS . 1.1 mt -85.06 89.75 7.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.94 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.413 ' CG ' ' HD2' ' A' ' 57' ' ' PRO . 16.0 t70 -171.09 140.42 1.3 Allowed Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.581 0.705 . . . . 0.0 110.88 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.413 ' HD2' ' CG ' ' A' ' 56' ' ' ASP . 53.5 Cg_endo -69.8 -45.7 1.47 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.695 2.263 . . . . 0.0 112.364 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.433 ' O ' ' C ' ' A' ' 59' ' ' ILE . 1.3 t -44.32 -40.88 5.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.891 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.728 HG22 ' H ' ' A' ' 61' ' ' LYS . 89.5 mt -35.52 143.57 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.152 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.09 34.32 2.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.728 ' H ' HG22 ' A' ' 59' ' ' ILE . 1.5 ttmp? -99.02 38.59 1.37 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.925 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 36.2 p -80.98 42.78 0.66 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.134 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -94.75 -47.1 6.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.864 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 26.2 t90 -74.16 121.59 21.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 24.2 t 56.26 47.97 18.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -47.71 146.13 4.81 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.544 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 168.03 22.69 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.655 2.236 . . . . 0.0 112.356 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 80.0 p -123.58 138.34 54.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.821 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 98.8 p -80.56 -29.9 37.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.845 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.489 -179.991 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.7 p -117.03 118.78 33.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.827 0.346 . . . . 0.0 110.91 -179.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.9 p -128.71 94.79 3.94 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.85 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.95 64.72 0.3 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.521 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.4 t -69.33 159.17 33.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.897 0.38 . . . . 0.0 110.829 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.2 t -96.55 39.77 1.15 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.865 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.31 90.38 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.477 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.4 mttm -81.17 174.88 11.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.813 0.34 . . . . 0.0 110.889 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.42 ' HA3' ' CD ' ' A' ' 46' ' ' GLN . . . -84.81 129.76 9.41 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.477 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 160.94 -62.73 0.29 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.484 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.417 ' O ' ' CD1' ' A' ' 12' ' ' TRP . 7.4 p -68.45 143.92 14.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.818 0.342 . . . . 0.0 111.109 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.515 ' CD2' ' HG2' ' A' ' 50' ' ' ARG . 10.7 m95 -145.62 168.65 20.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.895 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.8 mmt180 -128.71 149.17 50.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.868 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.4 p-10 -43.67 -43.7 5.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.9 p -63.06 -41.37 99.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.2 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.504 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 40.5 mt-10 -63.11 -33.16 74.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.896 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.479 ' HB3' ' CE ' ' A' ' 21' ' ' LYS . 0.7 OUTLIER -73.4 -45.45 54.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.813 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -53.78 -44.31 69.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.919 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.44 ' HB ' HD21 ' A' ' 39' ' ' LEU . 20.9 mt -67.53 -47.25 81.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.162 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.638 HD23 HD12 ' A' ' 55' ' ' LEU . 40.1 tp -58.35 -66.75 0.44 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.902 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.554 ' HG3' HD13 ' A' ' 55' ' ' LEU . 28.1 mtmt -37.18 -61.61 0.56 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 179.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -50.3 -63.72 1.03 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.098 179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -42.45 -57.53 2.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.118 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.462 HG22 ' CZ3' ' A' ' 32' ' ' TRP . 98.9 t -50.69 -30.94 9.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.139 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 9.5 mmt -80.61 -27.05 37.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.864 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 29.9 tttm -87.15 -61.84 1.63 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.915 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.616 ' HE2' HD11 ' A' ' 38' ' ' LEU . 4.3 m-85 -73.74 -31.81 63.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.919 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.33 176.14 27.51 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.499 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 40.8 mttt -84.26 39.81 0.74 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.8 0.333 . . . . 0.0 110.926 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 -133.15 -36.69 1.0 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . 0.413 ' NE2' ' HB3' ' A' ' 27' ' ' TYR . 21.5 mt-30 -84.15 40.14 0.75 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.936 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.602 ' HA ' HD12 ' A' ' 35' ' ' ILE . 53.9 m95 -53.42 -64.09 0.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.523 ' HA ' ' HB2' ' A' ' 44' ' ' ALA . 2.1 t -40.35 -45.86 2.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.86 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 10.3 ttm-85 -64.46 -50.4 67.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.908 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.602 HD12 ' HA ' ' A' ' 32' ' ' TRP . 44.5 mt -50.01 -44.51 21.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.085 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.91 -35.21 44.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.159 179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 6.8 t -56.2 -39.25 72.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.812 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.616 HD11 ' HE2' ' A' ' 27' ' ' TYR . 26.5 mt -58.28 -45.18 88.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.967 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.484 HD13 ' CH2' ' A' ' 12' ' ' TRP . 9.3 mt -87.96 139.93 30.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.959 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -83.28 137.61 33.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.853 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? 63.99 41.78 6.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.508 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 35.0 mmtm -138.91 137.78 36.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.938 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 44' ' ' ALA . 23.0 t -120.0 155.8 32.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.523 ' HB2' ' HA ' ' A' ' 33' ' ' SER . . . -36.46 -53.19 0.86 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.127 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 35.2 tptt -46.02 -50.12 15.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.42 ' CD ' ' HA3' ' A' ' 9' ' ' GLY . 5.5 mm100 -60.21 -58.19 9.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.92 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 90.1 m -46.33 -42.77 15.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.7 tttp -69.01 -45.34 70.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.61 -65.35 0.69 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.106 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.515 ' HG2' ' CD2' ' A' ' 12' ' ' TRP . 7.0 tpt180 -48.0 -35.28 10.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.553 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 29.9 t-105 -70.24 -70.41 0.3 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -58.41 -14.36 7.5 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.942 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -70.95 -58.67 3.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.932 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.484 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 4.7 m95 -123.81 -41.26 2.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.895 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.638 HD12 HD23 ' A' ' 20' ' ' LEU . 1.0 OUTLIER -84.5 88.05 7.28 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.942 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.892 ' O ' HD12 ' A' ' 59' ' ' ILE . 12.2 t70 -174.96 139.79 0.63 Allowed Pre-proline 0 C--N 1.328 -0.362 0 CA-C-O 121.63 0.728 . . . . 0.0 110.882 179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.425 ' HD2' ' CG ' ' A' ' 56' ' ' ASP . 53.8 Cg_endo -69.72 -47.47 0.93 Allowed 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.661 2.241 . . . . 0.0 112.386 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 59' ' ' ILE . 56.1 m -43.26 -36.75 1.91 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.819 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.892 HD12 ' O ' ' A' ' 56' ' ' ASP . 47.8 mt -37.11 144.82 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.146 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.476 ' N ' ' HE2' ' A' ' 60' ' ' LYS . 0.3 OUTLIER -83.03 39.29 0.63 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.927 179.813 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.433 ' HD3' ' C ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -152.97 131.83 12.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 179.85 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 82.1 p -53.52 129.34 32.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.187 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -143.9 163.83 32.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.861 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 29.5 m95 -66.94 83.52 0.11 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.957 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 17.5 m -63.88 -54.03 41.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.837 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.74 68.54 1.52 Allowed Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.497 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 177.87 5.15 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.663 2.242 . . . . 0.0 112.353 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 3.5 m -145.2 174.96 10.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.877 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 29.7 t -71.37 97.81 1.67 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.851 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.496 -179.973 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.5 m -107.5 131.8 53.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.913 0.387 . . . . 0.0 110.816 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -74.67 -61.33 1.91 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.835 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 169.96 147.02 5.35 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.465 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -71.79 -50.89 25.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.935 0.397 . . . . 0.0 110.861 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.3 t -81.99 158.64 23.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.835 -179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.8 -168.07 6.33 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.461 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.408 ' NZ ' ' HD2' ' A' ' 41' ' ' ARG . 20.5 mmtp -147.05 157.51 43.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.805 0.336 . . . . 0.0 110.892 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.437 ' HA3' ' CD ' ' A' ' 46' ' ' GLN . . . 162.61 155.97 8.28 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.446 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 143.57 -98.02 0.2 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.536 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.559 ' O ' ' CD1' ' A' ' 12' ' ' TRP . 33.5 m -66.99 168.91 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.793 0.33 . . . . 0.0 111.166 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.559 ' CD1' ' O ' ' A' ' 11' ' ' VAL . 19.0 m95 -155.67 140.34 17.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.939 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 21.2 mtm180 -107.61 152.15 24.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.876 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.6 p-10 -38.35 -55.32 1.37 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.6 p -51.11 -67.11 0.28 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.139 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -39.19 -40.36 0.72 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -69.76 -44.88 69.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.86 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 73.1 mt-10 -58.51 -47.36 84.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.488 ' HB ' HD21 ' A' ' 39' ' ' LEU . 18.6 mt -61.08 -47.69 92.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.139 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.613 ' O ' HG23 ' A' ' 24' ' ' VAL . 26.2 tp -59.26 -63.91 1.13 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.922 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.489 ' CG ' HD13 ' A' ' 55' ' ' LEU . 44.1 mtmt -41.46 -52.24 3.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.49 -60.35 3.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.08 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -42.66 -53.77 4.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.079 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.613 HG23 ' O ' ' A' ' 20' ' ' LEU . 50.0 t -49.85 -31.1 6.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.142 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 8.4 mmt -80.97 -27.63 35.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.849 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.1 tttp -90.1 -63.8 1.23 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.896 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 37.7 m-85 -71.32 -31.31 67.25 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.929 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 101.24 170.79 28.31 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.485 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 30.3 mttp -84.68 17.02 2.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.783 0.325 . . . . 0.0 110.867 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 11.2 p-10 -116.4 -8.88 11.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -108.33 34.29 3.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.875 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.448 ' CZ3' HG22 ' A' ' 24' ' ' VAL . 56.0 m95 -50.07 -50.48 47.85 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.7 t -50.83 -35.86 34.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.821 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 24.6 ttt85 -79.08 -43.49 24.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.57 HG21 HD12 ' A' ' 20' ' ' LEU . 50.5 mt -56.96 -43.88 81.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.189 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.512 ' HB1' ' HA ' ' A' ' 43' ' ' SER . . . -53.31 -41.56 65.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.085 179.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 7.7 t -54.81 -38.64 67.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.907 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 17.2 mt -58.28 -42.18 86.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.488 HD21 ' HB ' ' A' ' 19' ' ' ILE . 6.8 mt -88.1 148.35 24.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.457 ' CE1' HH11 ' A' ' 41' ' ' ARG . 12.0 t-160 -89.01 131.85 35.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.457 HH11 ' CE1' ' A' ' 40' ' ' HIS . 66.9 mtm-85 66.47 42.94 2.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -141.67 154.57 45.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.512 ' HA ' ' HB1' ' A' ' 36' ' ' ALA . 42.7 m -140.7 158.81 43.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -38.67 -43.37 0.89 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.117 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.2 -56.57 17.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.437 ' CD ' ' HA3' ' A' ' 9' ' ' GLY . 11.8 mm100 -60.61 -49.76 76.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 92.4 m -52.59 -43.58 65.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.2 tttm -69.47 -41.03 76.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.906 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.3 -65.13 0.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.126 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -45.95 -38.72 7.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.831 -179.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.544 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 36.9 t-105 -64.41 -68.56 0.34 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.918 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -57.91 -20.73 39.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.943 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -65.05 -57.37 8.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.485 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 7.6 m95 -127.31 -42.66 1.67 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.911 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.562 HD12 HD23 ' A' ' 20' ' ' LEU . 0.7 OUTLIER -81.67 84.99 6.64 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.902 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.415 ' O ' HD12 ' A' ' 59' ' ' ILE . 6.6 t70 -167.51 132.54 1.6 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.573 0.701 . . . . 0.0 110.888 179.83 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -39.01 7.0 Favored 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.698 2.265 . . . . 0.0 112.345 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 13.2 m -53.8 -24.84 16.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.485 ' CD1' ' O ' ' A' ' 54' ' ' TRP . 87.5 mt -46.91 138.86 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.175 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.71 91.55 0.31 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 28.5 mtmt -137.75 178.58 7.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 10.1 t -72.01 143.56 49.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -53.45 118.96 4.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.887 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . 0.402 ' CD1' ' C ' ' A' ' 64' ' ' TRP . 1.9 t-105 -81.66 104.24 11.93 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.937 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 2.1 m -145.08 141.7 29.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 174.44 -158.23 26.4 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.504 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 125.17 11.82 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.692 2.261 . . . . 0.0 112.296 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 77.9 p -76.49 119.07 19.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.834 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 3.3 m -110.91 -57.82 2.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.839 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.52 179.992 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.469 -0.253 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 m -107.01 80.54 1.44 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.844 0.354 . . . . 0.0 110.797 -179.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.5 m 55.83 42.71 28.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.86 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.35 139.78 2.72 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.445 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 73.8 p -66.45 140.17 58.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.872 0.368 . . . . 0.0 110.863 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.4 m -89.49 -57.89 2.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.846 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.7 -116.63 4.02 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.454 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.9 tptp -134.05 155.75 49.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.87 0.367 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.24 -161.39 30.16 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.471 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -175.68 143.09 6.43 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.502 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 33.1 t -79.68 147.88 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.794 0.33 . . . . 0.0 111.141 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.585 ' CE3' ' HB3' ' A' ' 16' ' ' GLU . 21.7 m95 -134.21 141.43 47.03 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 41.0 mtp180 -111.12 163.81 13.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.4 ' ND2' HG23 ' A' ' 15' ' ' THR . 0.9 OUTLIER -47.56 -44.84 26.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.4 HG23 ' ND2' ' A' ' 14' ' ' ASN . 21.0 p -61.96 -60.44 3.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.141 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.585 ' HB3' ' CE3' ' A' ' 12' ' ' TRP . 6.5 mm-40 -43.49 -45.06 6.28 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.829 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -65.11 -42.37 94.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.856 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 27.3 mm-40 -58.73 -51.33 70.41 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.464 ' HB ' HD21 ' A' ' 39' ' ' LEU . 19.9 mt -58.35 -50.61 77.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.134 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.776 HD12 HG21 ' A' ' 35' ' ' ILE . 18.8 tp -58.74 -60.34 3.99 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.879 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.532 ' HG3' HD13 ' A' ' 55' ' ' LEU . 17.3 mtpp -40.62 -59.73 1.3 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.918 179.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.417 ' O ' ' N ' ' A' ' 25' ' ' MET . . . -52.75 -62.91 1.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.061 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.581 ' HB1' HG12 ' A' ' 35' ' ' ILE . . . -39.11 -55.19 1.66 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.115 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.5 HG22 ' CZ3' ' A' ' 32' ' ' TRP . 92.4 t -51.56 -36.86 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.417 ' N ' ' O ' ' A' ' 22' ' ' ALA . 29.8 mmt -73.08 -31.97 64.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.86 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.571 ' HD3' ' CE1' ' A' ' 27' ' ' TYR . 43.5 tttm -82.26 -66.03 0.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.571 ' CE1' ' HD3' ' A' ' 26' ' ' LYS . 4.8 m-85 -69.42 -31.89 70.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.937 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.415 ' CA ' ' O ' ' A' ' 24' ' ' VAL . . . 105.34 175.32 24.23 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.482 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 74.0 mttt -84.89 36.36 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.812 0.339 . . . . 0.0 110.883 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -130.97 -32.26 1.64 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.915 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.3 mm100 -86.26 39.93 0.85 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.5 ' CZ3' HG22 ' A' ' 24' ' ' VAL . 58.3 m95 -54.97 -41.43 71.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.891 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 34.8 p -57.92 -51.15 70.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 20.3 ttt85 -60.52 -51.89 67.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.776 HG21 HD12 ' A' ' 20' ' ' LEU . 78.1 mt -45.37 -47.45 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.147 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -50.31 -36.08 30.26 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.103 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.6 t -54.37 -41.46 69.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.858 -179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.507 HD11 ' HE2' ' A' ' 27' ' ' TYR . 24.5 mt -57.12 -49.13 76.86 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.932 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.53 HD22 ' CD ' ' A' ' 16' ' ' GLU . 7.6 mt -86.22 137.94 32.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.551 ' CD2' ' HG3' ' A' ' 41' ' ' ARG . 1.2 p-80 -84.88 142.22 29.87 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.861 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.551 ' HG3' ' CD2' ' A' ' 40' ' ' HIS . 39.2 mtt180 64.52 37.07 8.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.888 -179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.53 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 22.9 mmtm -134.84 154.08 51.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 2.8 m -138.08 159.41 42.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.859 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -40.94 -43.27 2.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.116 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -56.59 -56.33 22.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -59.55 -46.56 88.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 63.8 m -57.32 -47.77 80.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 20.9 tttt -66.09 -44.79 83.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.945 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.7 -63.01 1.35 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.102 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.504 ' HG2' ' CD2' ' A' ' 12' ' ' TRP . 10.1 tpt180 -47.81 -40.72 21.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.508 ' CD2' ' O ' ' A' ' 55' ' ' LEU . 38.8 t-105 -64.36 -71.84 0.17 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -56.19 -19.26 12.93 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -66.34 -56.69 9.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.458 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 4.2 m95 -127.96 -41.07 1.65 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.532 HD13 ' HG3' ' A' ' 21' ' ' LYS . 1.4 mt -81.39 91.5 6.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.908 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -173.92 140.91 0.82 Allowed Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.594 0.712 . . . . 0.0 110.86 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -50.58 0.45 Allowed 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.708 2.272 . . . . 0.0 112.367 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.7 t -42.39 -39.0 2.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.851 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.582 HG22 ' HG3' ' A' ' 61' ' ' LYS . 76.4 mt -41.48 144.12 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.106 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 25.1 mmmt -82.16 84.35 7.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.582 ' HG3' HG22 ' A' ' 59' ' ' ILE . 0.0 OUTLIER -167.93 -179.1 4.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.964 179.888 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.526 ' O ' HG23 ' A' ' 62' ' ' THR . 14.7 t -121.93 119.98 33.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.164 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -70.35 145.44 51.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 6.9 m-90 -45.37 -47.22 13.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 31.7 t -162.62 125.11 2.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.906 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 150.46 -94.92 0.16 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.469 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -179.83 3.17 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.694 2.263 . . . . 0.0 112.362 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 89.4 p 41.66 42.41 2.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.845 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 14.7 t -86.48 141.61 28.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.844 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.462 -179.974 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.7 t -45.76 -57.23 4.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.906 0.384 . . . . 0.0 110.865 -179.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.6 t -60.75 110.15 1.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.905 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.19 75.54 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.462 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 89.5 p -93.7 148.26 22.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.848 0.356 . . . . 0.0 110.853 -179.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.0 p -122.12 -32.32 3.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.59 166.59 26.46 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.491 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.62 142.48 44.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.815 0.34 . . . . 0.0 110.862 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.421 ' O ' ' N ' ' A' ' 11' ' ' VAL . . . 135.86 93.03 0.38 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.466 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.459 ' O ' ' CD1' ' A' ' 12' ' ' TRP . . . -49.18 91.37 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.447 -179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.439 ' C ' ' O ' ' A' ' 10' ' ' GLY . 3.8 p -34.84 152.37 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.811 0.339 . . . . 0.0 111.113 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.549 ' CZ2' ' HD2' ' A' ' 42' ' ' LYS . 28.6 m95 -124.34 159.58 29.99 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.899 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.2 mtp180 -119.62 157.43 28.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.838 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.5 p-10 -43.49 -47.06 7.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 24.1 p -63.07 -59.85 4.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.121 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.442 ' OE1' HD22 ' A' ' 39' ' ' LEU . 7.3 mm-40 -44.25 -44.33 7.87 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -66.89 -48.53 68.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 18.5 mt-10 -51.47 -47.57 63.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.0 mt -62.12 -48.28 89.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.108 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.846 ' O ' HG23 ' A' ' 24' ' ' VAL . 32.9 tp -58.12 -57.15 14.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.921 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.586 ' HG3' HD13 ' A' ' 55' ' ' LEU . 17.8 mtmt -44.65 -67.02 0.32 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -48.11 -60.69 2.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.133 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -43.23 -50.66 6.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.078 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.846 HG23 ' O ' ' A' ' 20' ' ' LEU . 47.9 t -55.29 -30.19 24.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.114 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 1.5 mtp -79.18 -36.98 39.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.849 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.562 ' HD3' ' CE1' ' A' ' 27' ' ' TYR . 36.1 tttp -75.07 -58.35 3.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.562 ' CE1' ' HD3' ' A' ' 26' ' ' LYS . 5.9 m-85 -80.94 -20.33 42.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.883 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.496 ' CA ' ' O ' ' A' ' 24' ' ' VAL . . . 96.83 -174.47 30.38 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 27.2 mtpt -96.33 25.14 5.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.809 0.338 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -112.32 -37.28 5.04 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.878 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 23.2 mt-30 -84.51 51.04 2.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 56.6 m95 -62.92 -43.54 98.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.59 ' HA ' ' HB2' ' A' ' 44' ' ' ALA . 37.9 p -57.53 -50.8 71.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.817 -179.749 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 8.0 ttt180 -60.67 -49.82 75.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.887 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.714 HG21 HD12 ' A' ' 20' ' ' LEU . 78.6 mt -48.9 -42.99 14.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.079 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -55.73 -41.7 74.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.07 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.7 t -49.96 -42.14 48.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.467 HD11 ' HE2' ' A' ' 27' ' ' TYR . 10.3 mt -54.1 -49.36 69.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.933 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.496 HD13 ' CZ3' ' A' ' 12' ' ' TRP . 7.0 mt -84.21 130.93 34.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.899 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.525 ' CE1' ' HG2' ' A' ' 41' ' ' ARG . 42.2 t60 -74.67 136.39 41.9 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.525 ' HG2' ' CE1' ' A' ' 40' ' ' HIS . 1.7 mmp_? 66.31 40.65 3.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.828 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.549 ' HD2' ' CZ2' ' A' ' 12' ' ' TRP . 42.9 mmtm -135.24 145.85 48.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.921 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 44' ' ' ALA . 72.5 p -129.52 148.88 51.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.903 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.59 ' HB2' ' HA ' ' A' ' 33' ' ' SER . . . -34.95 -46.51 0.31 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.091 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -49.54 -58.27 5.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -59.49 -44.03 93.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.889 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 62.4 m -57.19 -42.36 81.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 29.4 tttt -71.97 -43.44 65.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.928 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.53 -63.99 0.95 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.11 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.424 ' CZ ' ' HB2' ' A' ' 12' ' ' TRP . 10.5 tpt180 -44.58 -41.36 6.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.901 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.462 ' NE1' ' OD1' ' A' ' 56' ' ' ASP . 21.5 t-105 -66.07 -72.93 0.14 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.953 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -55.18 -16.18 2.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.914 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -71.13 -54.05 12.41 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 4.6 m95 -128.03 -41.43 1.62 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.923 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.586 HD13 ' HG3' ' A' ' 21' ' ' LYS . 1.2 mt -82.64 94.03 7.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.952 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.462 ' OD1' ' NE1' ' A' ' 51' ' ' TRP . 5.4 t70 -174.84 140.81 0.68 Allowed Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.539 0.685 . . . . 0.0 110.888 179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.424 ' HD2' ' CG ' ' A' ' 56' ' ' ASP . 53.6 Cg_endo -69.75 -51.03 0.41 Allowed 'Trans proline' 0 C--O 1.231 0.135 0 C-N-CA 122.699 2.266 . . . . 0.0 112.329 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.403 ' C ' ' O ' ' A' ' 57' ' ' PRO . 48.0 t -38.28 -37.89 0.32 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.865 -179.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 69.9 mt -45.84 139.56 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.151 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 20.5 mtmt -83.99 79.98 9.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.881 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -91.9 165.6 13.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.895 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 4.9 t -65.69 -25.54 67.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.182 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -50.5 125.69 13.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' TRP . . . . . . . . . . . . . 22.2 m95 -68.48 169.24 11.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 66' ' ' GLY . 66.8 p -120.42 173.76 6.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.831 -179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 65' ' ' SER . . . -35.92 146.19 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.496 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -0.77 7.38 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.66 2.24 . . . . 0.0 112.356 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' SER . . . . . . . . . . . . . 18.5 p -58.08 -33.62 69.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.817 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' SER . . . . . . . . . . . . . 23.3 m -130.5 119.01 21.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.506 -179.985 . . . . . . . . 0 0 . 1 stop_ save_